N-[(3-chlorophenyl)methylideneamino]-1-methylpyrazole-3-carboxamide

C12H11ClN4O — CID 725244

IUPACN-[(3-chlorophenyl)methylideneamino]-1-methylpyrazole-3-carboxamide
SMILESCn1ccc(C(=O)NN=Cc2cccc(Cl)c2)n1
InChIInChI=1S/C12H11ClN4O/c1-17-6-5-11(16-17)12(18)15-14-8-9-3-2-4-10(13)7-9/h2-8H,1H3,(H,15,18)
InChIKeyKFCIVBYJUOSTHS-UHFFFAOYSA-N
MW262.70 g/mol
LogP1.84
Rot. Bonds3

About N-[(3-chlorophenyl)methylideneamino]-1-methylpyrazole-3-carboxamide

N-[(3-chlorophenyl)methylideneamino]-1-methylpyrazole-3-carboxamide (PubChem CID 725244) has the molecular formula C12H11ClN4O and a molecular weight of 262.70 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methylideneamino]-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methylideneamino]-1-methylpyrazole-3-carboxamide
PubChem CID725244
Molecular FormulaC12H11ClN4O
Molecular Weight262.70 g/mol
Exact Mass262.06
IUPAC NameN-[(3-chlorophenyl)methylideneamino]-1-methylpyrazole-3-carboxamide
SMILESCn1ccc(C(=O)NN=Cc2cccc(Cl)c2)n1
InChIInChI=1S/C12H11ClN4O/c1-17-6-5-11(16-17)12(18)15-14-8-9-3-2-4-10(13)7-9/h2-8H,1H3,(H,15,18)
InChIKeyKFCIVBYJUOSTHS-UHFFFAOYSA-N
XLogP1.84
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.70
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(3-chlorophenyl)methylideneamino]-1-methylpyrazole-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

2-N,6-N-bis[(E)-(3-chlorophenyl)methylideneamino]pyridine-2,6-dicarboxamide
CID 171981138
1-methyl-N-(pyridin-4-ylmethylideneamino)pyrazole-3-carboxamide
CID 841387
1-methyl-N-[(4-methylphenyl)methylideneamino]pyrazole-3-carboxamide
CID 725209
1-[(3-bromophenyl)methyl]-N-[(3-chlorophenyl)methylideneamino]pyrazole-3-carboxamide
CID 1268541
N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-1-methylpyrazole-3-carboxamide
CID 171983195
N-[(Z)-(3-chlorophenyl)methylideneamino]-6-methylpyridine-3-carboxamide
CID 5370945
2-chloro-N-[(3-chlorophenyl)methylideneamino]benzamide
CID 689911
methyl N-[(3-chlorophenyl)methylideneamino]carbamate
CID 909415
N,N'-bis[(3-chlorophenyl)methylideneamino]propanediamide
CID 3386676
N-[(3-chlorophenyl)methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 78627381
4-acetamido-N-[(Z)-(3-chlorophenyl)methylideneamino]benzamide
CID 5427466
N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-1-methylpyrazole-3-carboxamide
CID 1014815

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methylideneamino]-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-[(3-chlorophenyl)methylideneamino]-1-methylpyrazole-3-carboxamide (CID 725244) is N-[(3-chlorophenyl)methylideneamino]-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(3-chlorophenyl)methylideneamino]-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[(3-chlorophenyl)methylideneamino]-1-methylpyrazole-3-carboxamide is Cn1ccc(C(=O)NN=Cc2cccc(Cl)c2)n1.
What is the InChIKey of N-[(3-chlorophenyl)methylideneamino]-1-methylpyrazole-3-carboxamide?
The InChIKey is KFCIVBYJUOSTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4O/c1-17-6-5-11(16-17)12(18)15-14-8-9-3-2-4-10(13)7-9/h2-8H,1H3,(H,15,18).
What are the key properties of N-[(3-chlorophenyl)methylideneamino]-1-methylpyrazole-3-carboxamide?
N-[(3-chlorophenyl)methylideneamino]-1-methylpyrazole-3-carboxamide has a molecular weight of 262.70 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methylideneamino]-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 725244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).