5-cyclopropyl-N-(diaminomethylidene)-1-(6-methylquinolin-5-yl)pyrazole-4-carboxamide

C18H18N6O — CID 22267988

IUPAC5-cyclopropyl-N-(diaminomethylidene)-1-(6-methylquinolin-5-yl)pyrazole-4-carboxamide
SMILESCc1ccc2ncccc2c1-n1ncc(C(=O)N=C(N)N)c1C1CC1
InChIInChI=1S/C18H18N6O/c1-10-4-7-14-12(3-2-8-21-14)15(10)24-16(11-5-6-11)13(9-22-24)17(25)23-18(19)20/h2-4,7-9,11H,5-6H2,1H3,(H4,19,20,23,25)
InChIKeyJVXZUAAAJOCBAD-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.02
Rot. Bonds3

About 5-cyclopropyl-N-(diaminomethylidene)-1-(6-methylquinolin-5-yl)pyrazole-4-carboxamide

5-cyclopropyl-N-(diaminomethylidene)-1-(6-methylquinolin-5-yl)pyrazole-4-carboxamide (PubChem CID 22267988) has the molecular formula C18H18N6O and a molecular weight of 334.38 g/mol. Its IUPAC name is 5-cyclopropyl-N-(diaminomethylidene)-1-(6-methylquinolin-5-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-(diaminomethylidene)-1-(6-methylquinolin-5-yl)pyrazole-4-carboxamide
PubChem CID22267988
Molecular FormulaC18H18N6O
Molecular Weight334.38 g/mol
Exact Mass334.15
IUPAC Name5-cyclopropyl-N-(diaminomethylidene)-1-(6-methylquinolin-5-yl)pyrazole-4-carboxamide
SMILESCc1ccc2ncccc2c1-n1ncc(C(=O)N=C(N)N)c1C1CC1
InChIInChI=1S/C18H18N6O/c1-10-4-7-14-12(3-2-8-21-14)15(10)24-16(11-5-6-11)13(9-22-24)17(25)23-18(19)20/h2-4,7-9,11H,5-6H2,1H3,(H4,19,20,23,25)
InChIKeyJVXZUAAAJOCBAD-UHFFFAOYSA-N
XLogP2.02
TPSA112.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-(diaminomethylidene)-1-(6-methylquinolin-5-yl)pyrazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-N-(diaminomethylidene)-1-(6-methylquinolin-5-yl)pyrazole-4-carboxamide (CID 22267988) is 5-cyclopropyl-N-(diaminomethylidene)-1-(6-methylquinolin-5-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-(diaminomethylidene)-1-(6-methylquinolin-5-yl)pyrazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-(diaminomethylidene)-1-(6-methylquinolin-5-yl)pyrazole-4-carboxamide is Cc1ccc2ncccc2c1-n1ncc(C(=O)N=C(N)N)c1C1CC1.
What is the InChIKey of 5-cyclopropyl-N-(diaminomethylidene)-1-(6-methylquinolin-5-yl)pyrazole-4-carboxamide?
The InChIKey is JVXZUAAAJOCBAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O/c1-10-4-7-14-12(3-2-8-21-14)15(10)24-16(11-5-6-11)13(9-22-24)17(25)23-18(19)20/h2-4,7-9,11H,5-6H2,1H3,(H4,19,20,23,25).
What are the key properties of 5-cyclopropyl-N-(diaminomethylidene)-1-(6-methylquinolin-5-yl)pyrazole-4-carboxamide?
5-cyclopropyl-N-(diaminomethylidene)-1-(6-methylquinolin-5-yl)pyrazole-4-carboxamide has a molecular weight of 334.38 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-(diaminomethylidene)-1-(6-methylquinolin-5-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 22267988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).