3-(2-chlorophenyl)-N-[(2,5-dimethoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide

C19H17ClN4O3 — CID 1128473

IUPAC3-(2-chlorophenyl)-N-[(2,5-dimethoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(OC)c(C=NNC(=O)c2cc(-c3ccccc3Cl)n[nH]2)c1
InChIInChI=1S/C19H17ClN4O3/c1-26-13-7-8-18(27-2)12(9-13)11-21-24-19(25)17-10-16(22-23-17)14-5-3-4-6-15(14)20/h3-11H,1-2H3,(H,22,23)(H,24,25)
InChIKeyIWODWDRHQQXRTK-UHFFFAOYSA-N
MW384.82 g/mol
LogP3.51
Rot. Bonds6

About 3-(2-chlorophenyl)-N-[(2,5-dimethoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide

3-(2-chlorophenyl)-N-[(2,5-dimethoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide (PubChem CID 1128473) has the molecular formula C19H17ClN4O3 and a molecular weight of 384.82 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-[(2,5-dimethoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-[(2,5-dimethoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
PubChem CID1128473
Molecular FormulaC19H17ClN4O3
Molecular Weight384.82 g/mol
Exact Mass384.10
IUPAC Name3-(2-chlorophenyl)-N-[(2,5-dimethoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(OC)c(C=NNC(=O)c2cc(-c3ccccc3Cl)n[nH]2)c1
InChIInChI=1S/C19H17ClN4O3/c1-26-13-7-8-18(27-2)12(9-13)11-21-24-19(25)17-10-16(22-23-17)14-5-3-4-6-15(14)20/h3-11H,1-2H3,(H,22,23)(H,24,25)
InChIKeyIWODWDRHQQXRTK-UHFFFAOYSA-N
XLogP3.51
TPSA88.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.82
LogP ≤ 53.51
H-Bond Donors ≤ 52
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 3-(2-chlorophenyl)-N-[(2,5-dimethoxyphenyl)methylideneamino]-1H-pyrazole-5-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)-(2,5-dimethoxyphenyl)methylideneamino]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 6865551
N-[(2,5-dimethoxyphenyl)methylideneamino]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 1128449
N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-3-(4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 5445416
N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-3-(4-ethylphenyl)-1H-pyrazole-5-carboxamide
CID 6869510
N-[(2,5-dimethoxyphenyl)methylideneamino]-3-(3-ethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 1185226
3-(1,2-dihydroacenaphthylen-5-yl)-N-[(2,5-dimethoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 3640086
3-(2-chlorophenyl)-N-[(4-ethoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 1128475
N-[(2-chlorophenyl)methylideneamino]-3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 5161262
3-(2-chlorophenyl)-N-[(Z)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 136791878
3-(2,5-dimethoxyphenyl)-N-[(2-methoxynaphthalen-1-yl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 4528877
N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 6888208
3-(2,5-dimethoxyphenyl)-N-[(3-methoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 2047421

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-[(2,5-dimethoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-N-[(2,5-dimethoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide (CID 1128473) is 3-(2-chlorophenyl)-N-[(2,5-dimethoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-[(2,5-dimethoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-[(2,5-dimethoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide is COc1ccc(OC)c(C=NNC(=O)c2cc(-c3ccccc3Cl)n[nH]2)c1.
What is the InChIKey of 3-(2-chlorophenyl)-N-[(2,5-dimethoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide?
The InChIKey is IWODWDRHQQXRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O3/c1-26-13-7-8-18(27-2)12(9-13)11-21-24-19(25)17-10-16(22-23-17)14-5-3-4-6-15(14)20/h3-11H,1-2H3,(H,22,23)(H,24,25).
What are the key properties of 3-(2-chlorophenyl)-N-[(2,5-dimethoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide?
3-(2-chlorophenyl)-N-[(2,5-dimethoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide has a molecular weight of 384.82 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-[(2,5-dimethoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 1128473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).