N-(4-chlorophenyl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide

C23H18ClN3O2 — CID 2175921

IUPACN-(4-chlorophenyl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H18ClN3O2/c1-29-20-13-7-16(8-14-20)22-21(15-27(26-22)19-5-3-2-4-6-19)23(28)25-18-11-9-17(24)10-12-18/h2-15H,1H3,(H,25,28)
InChIKeyNSBMSTDGPGEQLK-UHFFFAOYSA-N
MW403.87 g/mol
LogP5.45
Rot. Bonds5

About N-(4-chlorophenyl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide

N-(4-chlorophenyl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide (PubChem CID 2175921) has the molecular formula C23H18ClN3O2 and a molecular weight of 403.87 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
PubChem CID2175921
Molecular FormulaC23H18ClN3O2
Molecular Weight403.87 g/mol
Exact Mass403.11
IUPAC NameN-(4-chlorophenyl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H18ClN3O2/c1-29-20-13-7-16(8-14-20)22-21(15-27(26-22)19-5-3-2-4-6-19)23(28)25-18-11-9-17(24)10-12-18/h2-15H,1H3,(H,25,28)
InChIKeyNSBMSTDGPGEQLK-UHFFFAOYSA-N
XLogP5.45
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.87
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-chlorophenyl)-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-(4-chlorophenyl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide (CID 2175921) is N-(4-chlorophenyl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide is COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-(4-chlorophenyl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is NSBMSTDGPGEQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O2/c1-29-20-13-7-16(8-14-20)22-21(15-27(26-22)19-5-3-2-4-6-19)23(28)25-18-11-9-17(24)10-12-18/h2-15H,1H3,(H,25,28).
What are the key properties of N-(4-chlorophenyl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide?
N-(4-chlorophenyl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 403.87 g/mol, XLogP of 5.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 2175921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).