(2R)-N-[(4-chloro-1-methylpyrazol-3-yl)methyl]-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxy-2-phenylacetamide

Update Time: 2025-04-25 17:03:18

	Common Name	(2R)-N-[(4-chloro-1-methylpyrazol-3-yl)methyl]-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxy-2-phenylacetamide	English Name	(2R)-N-[(4-chloro-1-methylpyrazol-3-yl)methyl]-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxy-2-phenylacetamide
	CAS NO.	N/A	Molecular Weight	404.9
	Density	N/A	Boiling Point	N/A
	Molecular Formula	C₂₁H₂₉ClN₄O₂	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A
	Symbol	N/A	Signal Word	N/A

Properties

English Name	(2R)-N-[(4-chloro-1-methylpyrazol-3-yl)methyl]-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxy-2-phenylacetamide

Molecular Formula	C21H29ClN4O2
Molecular Weight	404.9
Exact Mass	404.1979039
LogP	2.70
Standard SMILES	CCN1CCCC1CN(Cc1nn(C)cc1Cl)C(=O)C(OC)c1ccccc1
Canonical SMILES	CCN1CCCC1CN(CC2=NN(C=C2Cl)C)C(=O)C(C3=CC=CC=C3)OC
Isomeric SMILES	CCN1CCC[C@H]1CN(CC2=NN(C=C2Cl)C)C(=O)[C@@H](C3=CC=CC=C3)OC
Standard InChI Identifier	InChI=1S/C21H29ClN4O2/c1-4-25-12-8-11-17(25)13-26(15-19-18(22)14-24(2)23-19)21(27)20(28-3)16-9-6-5-7-10-16/h5-7,9-10,14,17,20H,4,8,11-13,15H2,1-3H3/t17-,20+/m0/s1
Standard InChI Key	IUSOTEOSBCWWRM-FXAWDEMLSA-N
Compound Complexity	503.00
computational chemistry	Hydrogen Bond Acceptor Count：4 Hydrogen Bond Donor Count：0 Rotatable Bond Count：8 Heavy Atom Count：28 Total Chiral Atom Count：2 Defined Chiral Atom Count：2 Undefined Chiral Atom Count：0 Total Chiral Bond Count：0 Defined Chiral Bond Count：0 Undefined Chiral Bond Count：0 Isotope Atom Count：0 Covalent Unit Count：1 Tautomer Count：-1 Monoisotopic Mass：404.1979039