N-(1H-benzimidazol-2-ylmethyl)-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide

C22H17N5O2 — CID 18131972

IUPACN-(1H-benzimidazol-2-ylmethyl)-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide
SMILESO=C(NCc1nc2ccccc2[nH]1)c1cc(-c2ccco2)nn1-c1ccccc1
InChIInChI=1S/C22H17N5O2/c28-22(23-14-21-24-16-9-4-5-10-17(16)25-21)19-13-18(20-11-6-12-29-20)26-27(19)15-7-2-1-3-8-15/h1-13H,14H2,(H,23,28)(H,24,25)
InChIKeyNCQWDDOOMQJJNS-UHFFFAOYSA-N
MW383.41 g/mol
LogP3.94
Rot. Bonds5

About N-(1H-benzimidazol-2-ylmethyl)-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide

N-(1H-benzimidazol-2-ylmethyl)-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide (PubChem CID 18131972) has the molecular formula C22H17N5O2 and a molecular weight of 383.41 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide
PubChem CID18131972
Molecular FormulaC22H17N5O2
Molecular Weight383.41 g/mol
Exact Mass383.14
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide
SMILESO=C(NCc1nc2ccccc2[nH]1)c1cc(-c2ccco2)nn1-c1ccccc1
InChIInChI=1S/C22H17N5O2/c28-22(23-14-21-24-16-9-4-5-10-17(16)25-21)19-13-18(20-11-6-12-29-20)26-27(19)15-7-2-1-3-8-15/h1-13H,14H2,(H,23,28)(H,24,25)
InChIKeyNCQWDDOOMQJJNS-UHFFFAOYSA-N
XLogP3.94
TPSA88.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(1H-benzimidazol-2-ylmethyl)-3-(furan-2-yl)-1-phenylpyrazole-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-benzyl-1-(4-chlorophenyl)-3-(furan-2-yl)pyrazole-5-carboxamide
CID 1053385
3-(furan-2-yl)-N-(2-hydroxypropyl)-1-phenylpyrazole-5-carboxamide
CID 78855996
1-(4-fluorophenyl)-3-(furan-2-yl)-N-(furan-2-ylmethyl)pyrazole-5-carboxamide
CID 42762262
3-(furan-2-yl)-1-phenyl-N-[(5-sulfamoylthiophen-2-yl)methyl]pyrazole-5-carboxamide
CID 24597839
N-(1H-benzimidazol-2-ylmethyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 112791039
3-(furan-2-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-phenylpyrazole-5-carboxamide;hydrochloride
CID 120944023
1-(4-fluorophenyl)-3-(furan-2-yl)-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide
CID 1053454
N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide
CID 55689940
N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide
CID 49067429
3-(furan-2-yl)-1-phenyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]pyrazole-5-carboxamide
CID 24583888
3-(furan-2-yl)-N-(5-methyl-2-pyridinyl)-1-phenylpyrazole-5-carboxamide
CID 46679794
3-(furan-2-yl)-1-phenyl-N-[3-(4-phenylpiperazin-1-yl)propyl]pyrazole-5-carboxamide
CID 46431893

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide (CID 18131972) is N-(1H-benzimidazol-2-ylmethyl)-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide is O=C(NCc1nc2ccccc2[nH]1)c1cc(-c2ccco2)nn1-c1ccccc1.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide?
The InChIKey is NCQWDDOOMQJJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5O2/c28-22(23-14-21-24-16-9-4-5-10-17(16)25-21)19-13-18(20-11-6-12-29-20)26-27(19)15-7-2-1-3-8-15/h1-13H,14H2,(H,23,28)(H,24,25).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide?
N-(1H-benzimidazol-2-ylmethyl)-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide has a molecular weight of 383.41 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide is sourced from PubChem (CID 18131972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).