N-(1H-benzimidazol-2-yl)-3-(2,5-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide

C25H21N5O3 — CID 27649329

IUPACN-(1H-benzimidazol-2-yl)-3-(2,5-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide
SMILESCOc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C(=O)Nc2nc3ccccc3[nH]2)c1
InChIInChI=1S/C25H21N5O3/c1-32-17-12-13-22(33-2)18(14-17)23-19(15-30(29-23)16-8-4-3-5-9-16)24(31)28-25-26-20-10-6-7-11-21(20)27-25/h3-15H,1-2H3,(H2,26,27,28,31)
InChIKeyWSUCRNWNAVEOPM-UHFFFAOYSA-N
MW439.48 g/mol
LogP4.69
Rot. Bonds6

About N-(1H-benzimidazol-2-yl)-3-(2,5-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide

N-(1H-benzimidazol-2-yl)-3-(2,5-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide (PubChem CID 27649329) has the molecular formula C25H21N5O3 and a molecular weight of 439.48 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-3-(2,5-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-3-(2,5-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide
PubChem CID27649329
Molecular FormulaC25H21N5O3
Molecular Weight439.48 g/mol
Exact Mass439.16
IUPAC NameN-(1H-benzimidazol-2-yl)-3-(2,5-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide
SMILESCOc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C(=O)Nc2nc3ccccc3[nH]2)c1
InChIInChI=1S/C25H21N5O3/c1-32-17-12-13-22(33-2)18(14-17)23-19(15-30(29-23)16-8-4-3-5-9-16)24(31)28-25-26-20-10-6-7-11-21(20)27-25/h3-15H,1-2H3,(H2,26,27,28,31)
InChIKeyWSUCRNWNAVEOPM-UHFFFAOYSA-N
XLogP4.69
TPSA94.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.48
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(1H-benzimidazol-2-yl)-3-(2,5-dimethoxyphenyl)-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

N-(1H-benzimidazol-2-yl)-2,4-dimethoxybenzamide
CID 4695097
N-(5-acetamido-2-fluorophenyl)-3-(2,5-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 55551214
N-(4-carbamoyl-3-chlorophenyl)-3-(2,5-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 55611029
2-amino-N-(1H-benzimidazol-2-yl)-4-methoxybenzamide
CID 115413254
3-(2,5-dimethoxyphenyl)-N-[2-(2-methylphenoxy)ethyl]-1-phenylpyrazole-4-carboxamide
CID 52706502
3-(2,5-dimethoxyphenyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-1-phenylpyrazole-4-carboxamide
CID 41293272
N-(2,4-dimethoxyphenyl)-3-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 51548267
[3-(2,5-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-piperazin-1-ylmethanone
CID 119402162
3-(2,4-dimethoxyphenyl)-N-(3-methylsulfanylphenyl)-1-phenylpyrazole-4-carboxamide
CID 29201760
3-(2,5-dimethoxyphenyl)-N-[2-(3-fluorophenoxy)ethyl]-1-phenylpyrazole-4-carboxamide
CID 55657345
3-(2,5-dimethoxyphenyl)-N-(oxan-3-yl)-1-phenylpyrazole-4-carboxamide
CID 56559378
3-(2,5-dimethoxyphenyl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-1-phenylpyrazole-4-carboxamide
CID 86906413

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-3-(2,5-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-3-(2,5-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide (CID 27649329) is N-(1H-benzimidazol-2-yl)-3-(2,5-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-3-(2,5-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-3-(2,5-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide is COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C(=O)Nc2nc3ccccc3[nH]2)c1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-3-(2,5-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is WSUCRNWNAVEOPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5O3/c1-32-17-12-13-22(33-2)18(14-17)23-19(15-30(29-23)16-8-4-3-5-9-16)24(31)28-25-26-20-10-6-7-11-21(20)27-25/h3-15H,1-2H3,(H2,26,27,28,31).
What are the key properties of N-(1H-benzimidazol-2-yl)-3-(2,5-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide?
N-(1H-benzimidazol-2-yl)-3-(2,5-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 439.48 g/mol, XLogP of 4.69, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-3-(2,5-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 27649329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).