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

C24H20ClN3O3 — CID 155565627

IUPACN-[(2-chlorophenyl)methoxy]-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NOCc2ccccc2Cl)cc1
InChIInChI=1S/C24H20ClN3O3/c1-30-20-13-11-17(12-14-20)23-21(15-28(26-23)19-8-3-2-4-9-19)24(29)27-31-16-18-7-5-6-10-22(18)25/h2-15H,16H2,1H3,(H,27,29)
InChIKeyGCKVEFSHLDXMIO-UHFFFAOYSA-N
MW433.90 g/mol
LogP5.06
Rot. Bonds7

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

N-[(2-chlorophenyl)methoxy]-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide (PubChem CID 155565627) has the molecular formula C24H20ClN3O3 and a molecular weight of 433.90 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methoxy]-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methoxy]-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
PubChem CID155565627
Molecular FormulaC24H20ClN3O3
Molecular Weight433.90 g/mol
Exact Mass433.12
IUPAC NameN-[(2-chlorophenyl)methoxy]-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NOCc2ccccc2Cl)cc1
InChIInChI=1S/C24H20ClN3O3/c1-30-20-13-11-17(12-14-20)23-21(15-28(26-23)19-8-3-2-4-9-19)24(29)27-31-16-18-7-5-6-10-22(18)25/h2-15H,16H2,1H3,(H,27,29)
InChIKeyGCKVEFSHLDXMIO-UHFFFAOYSA-N
XLogP5.06
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.90
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[(2-chlorophenyl)methoxy]-3-(4-methoxyphenyl)-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

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methoxy]-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methoxy]-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide (CID 155565627) is N-[(2-chlorophenyl)methoxy]-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methoxy]-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methoxy]-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide is COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NOCc2ccccc2Cl)cc1.
What is the InChIKey of N-[(2-chlorophenyl)methoxy]-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is GCKVEFSHLDXMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN3O3/c1-30-20-13-11-17(12-14-20)23-21(15-28(26-23)19-8-3-2-4-9-19)24(29)27-31-16-18-7-5-6-10-22(18)25/h2-15H,16H2,1H3,(H,27,29).
What are the key properties of N-[(2-chlorophenyl)methoxy]-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide?
N-[(2-chlorophenyl)methoxy]-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 433.90 g/mol, XLogP of 5.06, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methoxy]-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 155565627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).