N-(diaminomethylidene)-5-methyl-1-(2-oxo-1H-quinolin-5-yl)pyrazole-4-carboxamide

C15H14N6O2 — CID 118753023

IUPACN-(diaminomethylidene)-5-methyl-1-(2-oxo-1H-quinolin-5-yl)pyrazole-4-carboxamide
SMILESCc1c(C(=O)N=C(N)N)cnn1-c1cccc2[nH]c(=O)ccc12
InChIInChI=1S/C15H14N6O2/c1-8-10(14(23)20-15(16)17)7-18-21(8)12-4-2-3-11-9(12)5-6-13(22)19-11/h2-7H,1H3,(H,19,22)(H4,16,17,20,23)
InChIKeyRNEIJLWHVZACHE-UHFFFAOYSA-N
MW310.32 g/mol
LogP0.44
Rot. Bonds2

About N-(diaminomethylidene)-5-methyl-1-(2-oxo-1H-quinolin-5-yl)pyrazole-4-carboxamide

N-(diaminomethylidene)-5-methyl-1-(2-oxo-1H-quinolin-5-yl)pyrazole-4-carboxamide (PubChem CID 118753023) has the molecular formula C15H14N6O2 and a molecular weight of 310.32 g/mol. Its IUPAC name is N-(diaminomethylidene)-5-methyl-1-(2-oxo-1H-quinolin-5-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(diaminomethylidene)-5-methyl-1-(2-oxo-1H-quinolin-5-yl)pyrazole-4-carboxamide
PubChem CID118753023
Molecular FormulaC15H14N6O2
Molecular Weight310.32 g/mol
Exact Mass310.12
IUPAC NameN-(diaminomethylidene)-5-methyl-1-(2-oxo-1H-quinolin-5-yl)pyrazole-4-carboxamide
SMILESCc1c(C(=O)N=C(N)N)cnn1-c1cccc2[nH]c(=O)ccc12
InChIInChI=1S/C15H14N6O2/c1-8-10(14(23)20-15(16)17)7-18-21(8)12-4-2-3-11-9(12)5-6-13(22)19-11/h2-7H,1H3,(H,19,22)(H4,16,17,20,23)
InChIKeyRNEIJLWHVZACHE-UHFFFAOYSA-N
XLogP0.44
TPSA132.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 50.44
H-Bond Donors ≤ 53
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 N-(diaminomethylidene)-5-methyl-1-(2-oxo-1H-quinolin-5-yl)pyrazole-4-carboxamide?
The IUPAC name of N-(diaminomethylidene)-5-methyl-1-(2-oxo-1H-quinolin-5-yl)pyrazole-4-carboxamide (CID 118753023) is N-(diaminomethylidene)-5-methyl-1-(2-oxo-1H-quinolin-5-yl)pyrazole-4-carboxamide.
What is the SMILES notation for N-(diaminomethylidene)-5-methyl-1-(2-oxo-1H-quinolin-5-yl)pyrazole-4-carboxamide?
The canonical SMILES for N-(diaminomethylidene)-5-methyl-1-(2-oxo-1H-quinolin-5-yl)pyrazole-4-carboxamide is Cc1c(C(=O)N=C(N)N)cnn1-c1cccc2[nH]c(=O)ccc12.
What is the InChIKey of N-(diaminomethylidene)-5-methyl-1-(2-oxo-1H-quinolin-5-yl)pyrazole-4-carboxamide?
The InChIKey is RNEIJLWHVZACHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6O2/c1-8-10(14(23)20-15(16)17)7-18-21(8)12-4-2-3-11-9(12)5-6-13(22)19-11/h2-7H,1H3,(H,19,22)(H4,16,17,20,23).
What are the key properties of N-(diaminomethylidene)-5-methyl-1-(2-oxo-1H-quinolin-5-yl)pyrazole-4-carboxamide?
N-(diaminomethylidene)-5-methyl-1-(2-oxo-1H-quinolin-5-yl)pyrazole-4-carboxamide has a molecular weight of 310.32 g/mol, XLogP of 0.44, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-5-methyl-1-(2-oxo-1H-quinolin-5-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 118753023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).