(3R)-N-[[(1R)-cyclohex-3-en-1-yl]methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]oxolane-3-carboxamide

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

	Common Name	(3R)-N-[[(1R)-cyclohex-3-en-1-yl]methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]oxolane-3-carboxamide	English Name	(3R)-N-[[(1R)-cyclohex-3-en-1-yl]methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]oxolane-3-carboxamide
	CAS NO.	N/A	Molecular Weight	331.5
	Density	N/A	Boiling Point	N/A
	Molecular Formula	C₁₉H₂₉N₃O₂	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A
	Symbol	N/A	Signal Word	N/A

Properties

English Name	(3R)-N-[[(1R)-cyclohex-3-en-1-yl]methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]oxolane-3-carboxamide

Molecular Formula	C19H29N3O2
Molecular Weight	331.5
Exact Mass	331.22597718
LogP	2.00
Standard SMILES	Cc1nn(C)c(C)c1CN(CC1CC=CCC1)C(=O)C1CCOC1
Canonical SMILES	CC1=C(C(=NN1C)C)CN(CC2CCC=CC2)C(=O)C3CCOC3
Isomeric SMILES	CC1=C(C(=NN1C)C)CN(C[C@@H]2CCC=CC2)C(=O)[C@@H]3CCOC3
Standard InChI Identifier	InChI=1S/C19H29N3O2/c1-14-18(15(2)21(3)20-14)12-22(11-16-7-5-4-6-8-16)19(23)17-9-10-24-13-17/h4-5,16-17H,6-13H2,1-3H3/t16-,17+/m0/s1
Standard InChI Key	SYHNSCJCGCNIBQ-DLBZAZTESA-N
Compound Complexity	468.00
computational chemistry	Hydrogen Bond Acceptor Count：3 Hydrogen Bond Donor Count：0 Rotatable Bond Count：5 Heavy Atom Count：24 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：331.22597718