N-[5-tert-butyl-2-(3-methylphenyl)pyrazol-3-yl]-N'-(3-methylbutan-2-yl)pentanediamide

Update Time: 2025-04-25 16:51:01

	Common Name	N-[5-tert-butyl-2-(3-methylphenyl)pyrazol-3-yl]-N'-(3-methylbutan-2-yl)pentanediamide	English Name	N-[5-tert-butyl-2-(3-methylphenyl)pyrazol-3-yl]-N'-(3-methylbutan-2-yl)pentanediamide
	CAS NO.	N/A	Molecular Weight	412.6
	Density	N/A	Boiling Point	N/A
	Molecular Formula	C₂₄H₃₆N₄O₂	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A
	Symbol	N/A	Signal Word	N/A

Properties

English Name	N-[5-tert-butyl-2-(3-methylphenyl)pyrazol-3-yl]-N'-(3-methylbutan-2-yl)pentanediamide

Molecular Formula	C24H36N4O2
Molecular Weight	412.6
Exact Mass	412.28382640
LogP	4.80
Standard SMILES	Cc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)CCCC(=O)NC(C)C(C)C)c1
Canonical SMILES	CC1=CC(=CC=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)CCCC(=O)NC(C)C(C)C
Isomeric SMILES	CC1=CC(=CC=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)CCCC(=O)NC(C)C(C)C
Standard InChI Identifier	InChI=1S/C24H36N4O2/c1-16(2)18(4)25-22(29)12-9-13-23(30)26-21-15-20(24(5,6)7)27-28(21)19-11-8-10-17(3)14-19/h8,10-11,14-16,18H,9,12-13H2,1-7H3,(H,25,29)(H,26,30)
Standard InChI Key	YUCIJCXQYDOLCB-UHFFFAOYSA-N
Compound Complexity	572.00
computational chemistry	Hydrogen Bond Acceptor Count：3 Hydrogen Bond Donor Count：2 Rotatable Bond Count：9 Heavy Atom Count：30 Total Chiral Atom Count：1 Defined Chiral Atom Count：0 Undefined Chiral Atom Count：1 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：412.28382640