2-(3,5-dimethylpyrazol-1-yl)-N-[(Z)-naphthalen-2-ylmethylideneamino]acetamide

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

	Common Name	2-(3,5-dimethylpyrazol-1-yl)-N-[(Z)-naphthalen-2-ylmethylideneamino]acetamide	English Name	2-(3,5-dimethylpyrazol-1-yl)-N-[(Z)-naphthalen-2-ylmethylideneamino]acetamide
	CAS NO.	N/A	Molecular Weight	306.4
	Density	N/A	Boiling Point	N/A
	Molecular Formula	C₁₈H₁₈N₄O	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A
	Symbol	N/A	Signal Word	N/A

Properties

English Name	2-(3,5-dimethylpyrazol-1-yl)-N-[(Z)-naphthalen-2-ylmethylideneamino]acetamide

Molecular Formula	C18H18N4O
Molecular Weight	306.4
Exact Mass	306.14806121
LogP	3.40
Standard SMILES	Cc1cc(C)n(CC(=O)NN=Cc2ccc3ccccc3c2)n1
Canonical SMILES	CC1=CC(=NN1CC(=O)NN=CC2=CC3=CC=CC=C3C=C2)C
Isomeric SMILES	CC1=CC(=NN1CC(=O)N/N=C\C2=CC3=CC=CC=C3C=C2)C
Standard InChI Identifier	InChI=1S/C18H18N4O/c1-13-9-14(2)22(21-13)12-18(23)20-19-11-15-7-8-16-5-3-4-6-17(16)10-15/h3-11H,12H2,1-2H3,(H,20,23)/b19-11-
Standard InChI Key	WRRUHAVYHGAYHS-ODLFYWEKSA-N
Compound Complexity	439.00
computational chemistry	Hydrogen Bond Acceptor Count：3 Hydrogen Bond Donor Count：1 Rotatable Bond Count：4 Heavy Atom Count：23 Total Chiral Atom Count：0 Defined Chiral Atom Count：0 Undefined Chiral Atom Count：0 Total Chiral Bond Count：1 Defined Chiral Bond Count：1 Undefined Chiral Bond Count：0 Isotope Atom Count：0 Covalent Unit Count：1 Tautomer Count：-1 Monoisotopic Mass：306.14806121