N-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3-(4-ethylphenyl)-1H-pyrazole-5-carboxamide

C27H25N5O — CID 20930867

IUPACN-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3-(4-ethylphenyl)-1H-pyrazole-5-carboxamide
SMILESCCc1ccc(-c2cc(C(=O)Nc3ccc(CCc4nc5ccccc5[nH]4)cc3)[nH]n2)cc1
InChIInChI=1S/C27H25N5O/c1-2-18-7-12-20(13-8-18)24-17-25(32-31-24)27(33)28-21-14-9-19(10-15-21)11-16-26-29-22-5-3-4-6-23(22)30-26/h3-10,12-15,17H,2,11,16H2,1H3,(H,28,33)(H,29,30)(H,31,32)
InChIKeyQITYCFOYERUHCB-UHFFFAOYSA-N
MW435.53 g/mol
LogP5.55
Rot. Bonds7

About N-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3-(4-ethylphenyl)-1H-pyrazole-5-carboxamide

N-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3-(4-ethylphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 20930867) has the molecular formula C27H25N5O and a molecular weight of 435.53 g/mol. Its IUPAC name is N-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3-(4-ethylphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3-(4-ethylphenyl)-1H-pyrazole-5-carboxamide
PubChem CID20930867
Molecular FormulaC27H25N5O
Molecular Weight435.53 g/mol
Exact Mass435.21
IUPAC NameN-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3-(4-ethylphenyl)-1H-pyrazole-5-carboxamide
SMILESCCc1ccc(-c2cc(C(=O)Nc3ccc(CCc4nc5ccccc5[nH]4)cc3)[nH]n2)cc1
InChIInChI=1S/C27H25N5O/c1-2-18-7-12-20(13-8-18)24-17-25(32-31-24)27(33)28-21-14-9-19(10-15-21)11-16-26-29-22-5-3-4-6-23(22)30-26/h3-10,12-15,17H,2,11,16H2,1H3,(H,28,33)(H,29,30)(H,31,32)
InChIKeyQITYCFOYERUHCB-UHFFFAOYSA-N
XLogP5.55
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.53
LogP ≤ 55.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3-(4-ethylphenyl)-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-[4-(1H-benzimidazol-2-yl)phenyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 53008213
N-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-2-(4-fluorophenyl)acetamide
CID 46290552
N-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3-fluoro-4-methylbenzamide
CID 46290614
N-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 46290599
1-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3-(4-ethoxyphenyl)urea
CID 50825327
ethyl 2-[4-[[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]carbamoylamino]phenyl]acetate
CID 46382279
N-(2-ethyl-3H-benzimidazol-5-yl)-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
CID 46964446
N-(1H-benzimidazol-2-yl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 27649691
4-methyl-N-[2-(2-phenylethyl)-3H-benzimidazol-5-yl]benzamide
CID 46328967
N-(4-fluorophenyl)-2-[2-[4-(propanoylamino)phenyl]ethyl]-3H-benzimidazole-5-carboxamide
CID 50789623
N-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-5-(1-methylpyrazol-4-yl)-1,2-oxazole-3-carboxamide
CID 46969266
N-[2-[[2-(dimethylamino)acetyl]amino]phenyl]-3-(4-ethylphenyl)-1H-pyrazole-5-carboxamide
CID 131941004

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3-(4-ethylphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3-(4-ethylphenyl)-1H-pyrazole-5-carboxamide (CID 20930867) is N-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3-(4-ethylphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3-(4-ethylphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3-(4-ethylphenyl)-1H-pyrazole-5-carboxamide is CCc1ccc(-c2cc(C(=O)Nc3ccc(CCc4nc5ccccc5[nH]4)cc3)[nH]n2)cc1.
What is the InChIKey of N-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3-(4-ethylphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is QITYCFOYERUHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O/c1-2-18-7-12-20(13-8-18)24-17-25(32-31-24)27(33)28-21-14-9-19(10-15-21)11-16-26-29-22-5-3-4-6-23(22)30-26/h3-10,12-15,17H,2,11,16H2,1H3,(H,28,33)(H,29,30)(H,31,32).
What are the key properties of N-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3-(4-ethylphenyl)-1H-pyrazole-5-carboxamide?
N-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3-(4-ethylphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 435.53 g/mol, XLogP of 5.55, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3-(4-ethylphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 20930867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).