1-methyl-N-(pyridin-4-ylmethylideneamino)pyrazole-3-carboxamide

C11H11N5O — CID 841387

IUPAC1-methyl-N-(pyridin-4-ylmethylideneamino)pyrazole-3-carboxamide
SMILESCn1ccc(C(=O)NN=Cc2ccncc2)n1
InChIInChI=1S/C11H11N5O/c1-16-7-4-10(15-16)11(17)14-13-8-9-2-5-12-6-3-9/h2-8H,1H3,(H,14,17)
InChIKeyGLWDVRWHOISKJK-UHFFFAOYSA-N
MW229.24 g/mol
LogP0.58
Rot. Bonds3

About 1-methyl-N-(pyridin-4-ylmethylideneamino)pyrazole-3-carboxamide

1-methyl-N-(pyridin-4-ylmethylideneamino)pyrazole-3-carboxamide (PubChem CID 841387) has the molecular formula C11H11N5O and a molecular weight of 229.24 g/mol. Its IUPAC name is 1-methyl-N-(pyridin-4-ylmethylideneamino)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(pyridin-4-ylmethylideneamino)pyrazole-3-carboxamide
PubChem CID841387
Molecular FormulaC11H11N5O
Molecular Weight229.24 g/mol
Exact Mass229.10
IUPAC Name1-methyl-N-(pyridin-4-ylmethylideneamino)pyrazole-3-carboxamide
SMILESCn1ccc(C(=O)NN=Cc2ccncc2)n1
InChIInChI=1S/C11H11N5O/c1-16-7-4-10(15-16)11(17)14-13-8-9-2-5-12-6-3-9/h2-8H,1H3,(H,14,17)
InChIKeyGLWDVRWHOISKJK-UHFFFAOYSA-N
XLogP0.58
TPSA72.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-methyl-N-[(4-methylphenyl)methylideneamino]pyrazole-3-carboxamide
CID 725209
N-[(3-chlorophenyl)methylideneamino]-1-methylpyrazole-3-carboxamide
CID 725244
N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-1-methylpyrazole-3-carboxamide
CID 171983195
1-methyl-4-nitro-N-[(E)-pyridin-4-ylmethylideneamino]pyrazole-3-carboxamide
CID 6873023
1-methyl-4-nitro-N-(pyridin-4-ylmethylideneamino)pyrazole-3-carboxamide
CID 903030
4-N,6-N-bis(pyridin-4-ylmethylideneamino)pyrimidine-4,6-dicarboxamide
CID 158525802
1-[(Z)-pyridin-4-ylmethylideneamino]-3-[(E)-pyridin-4-ylmethylideneamino]urea
CID 54600785
N-[[4-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl]methylideneamino]pyridine-4-carboxamide
CID 1101714
N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1-methylpyrazole-3-carboxamide
CID 725191
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-1-methylpyrazole-3-carboxamide
CID 135804376
[(E)-pyridin-4-ylmethylideneamino]carbamic acid
CID 19830229
[(E)-pyridin-4-ylmethylideneamino]carbamic acid;hydrate
CID 88512822

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(pyridin-4-ylmethylideneamino)pyrazole-3-carboxamide?
The IUPAC name of 1-methyl-N-(pyridin-4-ylmethylideneamino)pyrazole-3-carboxamide (CID 841387) is 1-methyl-N-(pyridin-4-ylmethylideneamino)pyrazole-3-carboxamide.
What is the SMILES notation for 1-methyl-N-(pyridin-4-ylmethylideneamino)pyrazole-3-carboxamide?
The canonical SMILES for 1-methyl-N-(pyridin-4-ylmethylideneamino)pyrazole-3-carboxamide is Cn1ccc(C(=O)NN=Cc2ccncc2)n1.
What is the InChIKey of 1-methyl-N-(pyridin-4-ylmethylideneamino)pyrazole-3-carboxamide?
The InChIKey is GLWDVRWHOISKJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O/c1-16-7-4-10(15-16)11(17)14-13-8-9-2-5-12-6-3-9/h2-8H,1H3,(H,14,17).
What are the key properties of 1-methyl-N-(pyridin-4-ylmethylideneamino)pyrazole-3-carboxamide?
1-methyl-N-(pyridin-4-ylmethylideneamino)pyrazole-3-carboxamide has a molecular weight of 229.24 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(pyridin-4-ylmethylideneamino)pyrazole-3-carboxamide is sourced from PubChem (CID 841387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).