N-[(2-chlorophenyl)methoxy]-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide

C24H20ClN3O2 — CID 155566765

IUPACN-[(2-chlorophenyl)methoxy]-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NOCc2ccccc2Cl)cc1
InChIInChI=1S/C24H20ClN3O2/c1-17-11-13-18(14-12-17)23-21(15-28(26-23)20-8-3-2-4-9-20)24(29)27-30-16-19-7-5-6-10-22(19)25/h2-15H,16H2,1H3,(H,27,29)
InChIKeyOWJGQJRAKWIPIQ-UHFFFAOYSA-N
MW417.90 g/mol
LogP5.36
Rot. Bonds6

About N-[(2-chlorophenyl)methoxy]-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide

N-[(2-chlorophenyl)methoxy]-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide (PubChem CID 155566765) has the molecular formula C24H20ClN3O2 and a molecular weight of 417.90 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methoxy]-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methoxy]-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
PubChem CID155566765
Molecular FormulaC24H20ClN3O2
Molecular Weight417.90 g/mol
Exact Mass417.12
IUPAC NameN-[(2-chlorophenyl)methoxy]-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NOCc2ccccc2Cl)cc1
InChIInChI=1S/C24H20ClN3O2/c1-17-11-13-18(14-12-17)23-21(15-28(26-23)20-8-3-2-4-9-20)24(29)27-30-16-19-7-5-6-10-22(19)25/h2-15H,16H2,1H3,(H,27,29)
InChIKeyOWJGQJRAKWIPIQ-UHFFFAOYSA-N
XLogP5.36
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.90
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(2-chlorophenyl)methoxy]-3-(4-methylphenyl)-1-phenylpyrazole-4-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

ethyl 3-(4-chlorophenyl)-1-phenyl-1H-pyrazole-4-carboxylate
CID 753856
hCB1 Inhibitor, 2{6,1,1}
CID 11475910
4-({[3-(3-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]carbonyl}amino)benzoic acid
CID 1287582
N-[(2-fluorophenyl)methoxy]-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 132601725
1,3-diphenyl-N-phenylmethoxypyrazole-4-carboxamide
CID 41450642
(E)-N-[(2-chlorophenyl)methoxy]-1-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methanimine
CID 127036623
(E)-N-[(2-chlorophenyl)methoxy]-1-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methanimine
CID 127036935
N-(4-chlorophenyl)-3-(4-methylphenyl)-1-phenyl-1H-pyrazole-4-carboxamide
CID 1342673
4-({[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]carbonyl}amino)benzoic acid
CID 2356903
3-(4-chlorophenyl)-N,1-diphenyl-1H-pyrazole-4-carboxamide
CID 2369334
N-(4-chlorophenyl)-1,3-diphenyl-1H-pyrazole-4-carboxamide
CID 7040530
3-(4-fluorophenyl)-1-phenyl-N-phenylmethoxypyrazole-4-carboxamide
CID 9227318

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methoxy]-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methoxy]-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide (CID 155566765) is N-[(2-chlorophenyl)methoxy]-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methoxy]-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methoxy]-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide is Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NOCc2ccccc2Cl)cc1.
What is the InChIKey of N-[(2-chlorophenyl)methoxy]-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is OWJGQJRAKWIPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN3O2/c1-17-11-13-18(14-12-17)23-21(15-28(26-23)20-8-3-2-4-9-20)24(29)27-30-16-19-7-5-6-10-22(19)25/h2-15H,16H2,1H3,(H,27,29).
What are the key properties of N-[(2-chlorophenyl)methoxy]-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide?
N-[(2-chlorophenyl)methoxy]-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 417.90 g/mol, XLogP of 5.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methoxy]-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 155566765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).