4-chloro-1-methyl-N-[(Z)-1-pyridin-4-ylethylideneamino]pyrazole-3-carboxamide

C12H12ClN5O — CID 5454090

IUPAC4-chloro-1-methyl-N-[(Z)-1-pyridin-4-ylethylideneamino]pyrazole-3-carboxamide
SMILESC/C(=N/NC(=O)c1nn(C)cc1Cl)c1ccncc1
InChIInChI=1S/C12H12ClN5O/c1-8(9-3-5-14-6-4-9)15-16-12(19)11-10(13)7-18(2)17-11/h3-7H,1-2H3,(H,16,19)/b15-8-
InChIKeyYNDLIKZORDXGSJ-NVNXTCNLSA-N
MW277.72 g/mol
LogP1.62
Rot. Bonds3

About 4-chloro-1-methyl-N-[(Z)-1-pyridin-4-ylethylideneamino]pyrazole-3-carboxamide

4-chloro-1-methyl-N-[(Z)-1-pyridin-4-ylethylideneamino]pyrazole-3-carboxamide (PubChem CID 5454090) has the molecular formula C12H12ClN5O and a molecular weight of 277.72 g/mol. Its IUPAC name is 4-chloro-1-methyl-N-[(Z)-1-pyridin-4-ylethylideneamino]pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-1-methyl-N-[(Z)-1-pyridin-4-ylethylideneamino]pyrazole-3-carboxamide
PubChem CID5454090
Molecular FormulaC12H12ClN5O
Molecular Weight277.72 g/mol
Exact Mass277.07
IUPAC Name4-chloro-1-methyl-N-[(Z)-1-pyridin-4-ylethylideneamino]pyrazole-3-carboxamide
SMILESC/C(=N/NC(=O)c1nn(C)cc1Cl)c1ccncc1
InChIInChI=1S/C12H12ClN5O/c1-8(9-3-5-14-6-4-9)15-16-12(19)11-10(13)7-18(2)17-11/h3-7H,1-2H3,(H,16,19)/b15-8-
InChIKeyYNDLIKZORDXGSJ-NVNXTCNLSA-N
XLogP1.62
TPSA72.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.72
LogP ≤ 51.62
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'}

Analyze 4-chloro-1-methyl-N-[(Z)-1-pyridin-4-ylethylideneamino]pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(E)-1-pyridin-4-ylethylideneamino]pyridine-4-carboxamide
CID 5402716
2-methyl-N-[(E)-1-pyridin-4-ylethylideneamino]pyrazole-3-carboxamide
CID 45133713
N-[(Z)-1-(4-acetamidophenyl)ethylideneamino]-4-iodo-1-methylpyrazole-3-carboxamide
CID 6341767
N-(1-pyridin-4-ylethylideneamino)-4-pyrrol-1-ylbenzamide
CID 3606783
N-[(Z)-1-(4-chloro-1-methylpyrazol-3-yl)ethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
CID 6210471
N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]pyridine-4-carboxamide
CID 5394794
(1-pyridin-4-ylethylideneamino)urea
CID 2755736
3,4,5-trihydroxy-N-(1-pyridin-4-ylethylideneamino)benzamide
CID 903912
N-[(Z)-1-(3-chlorophenyl)ethylideneamino]pyridine-4-carboxamide
CID 5480352
N-[(E)-1-(2,4-dichlorophenyl)ethylideneamino]pyridine-4-carboxamide
CID 6941499
3-oxo-N-(1-pyridin-4-ylethylideneamino)butanamide
CID 54265002
3-(2-chlorophenyl)-N-(1-pyridin-4-ylethylideneamino)-1H-pyrazole-5-carboxamide
CID 686577

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methyl-N-[(Z)-1-pyridin-4-ylethylideneamino]pyrazole-3-carboxamide?
The IUPAC name of 4-chloro-1-methyl-N-[(Z)-1-pyridin-4-ylethylideneamino]pyrazole-3-carboxamide (CID 5454090) is 4-chloro-1-methyl-N-[(Z)-1-pyridin-4-ylethylideneamino]pyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-1-methyl-N-[(Z)-1-pyridin-4-ylethylideneamino]pyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-1-methyl-N-[(Z)-1-pyridin-4-ylethylideneamino]pyrazole-3-carboxamide is C/C(=N/NC(=O)c1nn(C)cc1Cl)c1ccncc1.
What is the InChIKey of 4-chloro-1-methyl-N-[(Z)-1-pyridin-4-ylethylideneamino]pyrazole-3-carboxamide?
The InChIKey is YNDLIKZORDXGSJ-NVNXTCNLSA-N. The full InChI is InChI=1S/C12H12ClN5O/c1-8(9-3-5-14-6-4-9)15-16-12(19)11-10(13)7-18(2)17-11/h3-7H,1-2H3,(H,16,19)/b15-8-.
What are the key properties of 4-chloro-1-methyl-N-[(Z)-1-pyridin-4-ylethylideneamino]pyrazole-3-carboxamide?
4-chloro-1-methyl-N-[(Z)-1-pyridin-4-ylethylideneamino]pyrazole-3-carboxamide has a molecular weight of 277.72 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methyl-N-[(Z)-1-pyridin-4-ylethylideneamino]pyrazole-3-carboxamide is sourced from PubChem (CID 5454090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).