5-cyclopropyl-N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-4-fluoro-1H-pyrazole-3-carboxamide

C15H12F3N5O — CID 166280144

IUPAC5-cyclopropyl-N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-4-fluoro-1H-pyrazole-3-carboxamide
SMILESO=C(NCc1nc2c(F)c(F)ccc2[nH]1)c1n[nH]c(C2CC2)c1F
InChIInChI=1S/C15H12F3N5O/c16-7-3-4-8-13(10(7)17)21-9(20-8)5-19-15(24)14-11(18)12(22-23-14)6-1-2-6/h3-4,6H,1-2,5H2,(H,19,24)(H,20,21)(H,22,23)
InChIKeyATGLOLRNCMARHD-UHFFFAOYSA-N
MW335.29 g/mol
LogP2.51
Rot. Bonds4

About 5-cyclopropyl-N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-4-fluoro-1H-pyrazole-3-carboxamide

5-cyclopropyl-N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-4-fluoro-1H-pyrazole-3-carboxamide (PubChem CID 166280144) has the molecular formula C15H12F3N5O and a molecular weight of 335.29 g/mol. Its IUPAC name is 5-cyclopropyl-N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-4-fluoro-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-4-fluoro-1H-pyrazole-3-carboxamide
PubChem CID166280144
Molecular FormulaC15H12F3N5O
Molecular Weight335.29 g/mol
Exact Mass335.10
IUPAC Name5-cyclopropyl-N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-4-fluoro-1H-pyrazole-3-carboxamide
SMILESO=C(NCc1nc2c(F)c(F)ccc2[nH]1)c1n[nH]c(C2CC2)c1F
InChIInChI=1S/C15H12F3N5O/c16-7-3-4-8-13(10(7)17)21-9(20-8)5-19-15(24)14-11(18)12(22-23-14)6-1-2-6/h3-4,6H,1-2,5H2,(H,19,24)(H,20,21)(H,22,23)
InChIKeyATGLOLRNCMARHD-UHFFFAOYSA-N
XLogP2.51
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.29
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 5-cyclopropyl-N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-4-fluoro-1H-pyrazole-3-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

2-chloro-N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-2-fluoroacetamide
CID 167927042
2-[(1S)-cyclohex-3-en-1-yl]-N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]acetamide
CID 166280150
2-amino-N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide
CID 167988961
2-(cyclopropylmethyl)-4,5-difluoro-1H-benzimidazole
CID 112556693
N-[2-(4,5-difluoro-1H-benzimidazol-2-yl)ethyl]acetamide
CID 110477254
3-[2-(4,5-difluoro-1H-benzimidazol-2-yl)ethyl]-1,1-dimethylurea
CID 110478751
(E)-3-[4-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]phenyl]-N-hydroxyprop-2-enamide;hydrochloride
CID 159147600
6-cyclopropyl-N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-1-(oxan-4-yl)pyrazolo[3,4-b]pyrazin-3-amine
CID 156846842
4-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]phenol
CID 112556656
6-cyclopropyl-N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-1-(1-methylpiperidin-4-yl)pyrazolo[3,4-b]pyrazin-3-amine
CID 156846826
2-(4-chlorobutyl)-4,5-difluoro-1H-benzimidazole
CID 112556642
1-(4,5-difluoro-1H-benzimidazol-2-yl)-2-methylpropan-2-amine
CID 83857791

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-4-fluoro-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-4-fluoro-1H-pyrazole-3-carboxamide (CID 166280144) is 5-cyclopropyl-N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-4-fluoro-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-4-fluoro-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-4-fluoro-1H-pyrazole-3-carboxamide is O=C(NCc1nc2c(F)c(F)ccc2[nH]1)c1n[nH]c(C2CC2)c1F.
What is the InChIKey of 5-cyclopropyl-N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-4-fluoro-1H-pyrazole-3-carboxamide?
The InChIKey is ATGLOLRNCMARHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N5O/c16-7-3-4-8-13(10(7)17)21-9(20-8)5-19-15(24)14-11(18)12(22-23-14)6-1-2-6/h3-4,6H,1-2,5H2,(H,19,24)(H,20,21)(H,22,23).
What are the key properties of 5-cyclopropyl-N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-4-fluoro-1H-pyrazole-3-carboxamide?
5-cyclopropyl-N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-4-fluoro-1H-pyrazole-3-carboxamide has a molecular weight of 335.29 g/mol, XLogP of 2.51, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-4-fluoro-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 166280144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).