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

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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).