N-(3-cyano-4-fluorophenyl)-1H-pyrazole-4-carboxamide

C11H7FN4O — CID 62315667

IUPACN-(3-cyano-4-fluorophenyl)-1H-pyrazole-4-carboxamide
SMILESN#Cc1cc(NC(=O)c2cn[nH]c2)ccc1F
InChIInChI=1S/C11H7FN4O/c12-10-2-1-9(3-7(10)4-13)16-11(17)8-5-14-15-6-8/h1-3,5-6H,(H,14,15)(H,16,17)
InChIKeyCDNMCQGVCBEQEI-UHFFFAOYSA-N
MW230.20 g/mol
LogP1.67
Rot. Bonds2

About N-(3-cyano-4-fluorophenyl)-1H-pyrazole-4-carboxamide

N-(3-cyano-4-fluorophenyl)-1H-pyrazole-4-carboxamide (PubChem CID 62315667) has the molecular formula C11H7FN4O and a molecular weight of 230.20 g/mol. Its IUPAC name is N-(3-cyano-4-fluorophenyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-cyano-4-fluorophenyl)-1H-pyrazole-4-carboxamide
PubChem CID62315667
Molecular FormulaC11H7FN4O
Molecular Weight230.20 g/mol
Exact Mass230.06
IUPAC NameN-(3-cyano-4-fluorophenyl)-1H-pyrazole-4-carboxamide
SMILESN#Cc1cc(NC(=O)c2cn[nH]c2)ccc1F
InChIInChI=1S/C11H7FN4O/c12-10-2-1-9(3-7(10)4-13)16-11(17)8-5-14-15-6-8/h1-3,5-6H,(H,14,15)(H,16,17)
InChIKeyCDNMCQGVCBEQEI-UHFFFAOYSA-N
XLogP1.67
TPSA81.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.20
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 43532923
N-(3-cyano-4-fluorophenyl)-6-fluoropyridine-3-carboxamide
CID 63978798
2-fluoro-5-(1H-pyrazol-4-ylamino)benzonitrile
CID 125449171
N-(3-cyano-4-fluorophenyl)-2-oxo-1H-pyridine-4-carboxamide
CID 103765200
5-amino-N-(3-cyano-4-fluorophenyl)pyrazine-2-carboxamide
CID 107375402
3-bromo-N-(3-cyano-4-fluorophenyl)-4-fluorobenzamide
CID 103707295
N-(3-cyano-4-fluorophenyl)-6-fluoropyridine-2-carboxamide
CID 113323580
N-(3-cyano-4-fluorophenyl)thiophene-3-carboxamide
CID 62316846
2-bromo-N-(3-cyano-4-fluorophenyl)pyridine-4-carboxamide
CID 113255679
propan-2-yl N-(3-cyano-4-fluorophenyl)carbamate
CID 62316495
N-[4-(cyanomethyl)phenyl]-1H-pyrazole-4-carboxamide
CID 60787828
N-(3-cyano-4-fluorophenyl)-5-iodothiophene-3-carboxamide
CID 78948945

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4-fluorophenyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(3-cyano-4-fluorophenyl)-1H-pyrazole-4-carboxamide (CID 62315667) is N-(3-cyano-4-fluorophenyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(3-cyano-4-fluorophenyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(3-cyano-4-fluorophenyl)-1H-pyrazole-4-carboxamide is N#Cc1cc(NC(=O)c2cn[nH]c2)ccc1F.
What is the InChIKey of N-(3-cyano-4-fluorophenyl)-1H-pyrazole-4-carboxamide?
The InChIKey is CDNMCQGVCBEQEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FN4O/c12-10-2-1-9(3-7(10)4-13)16-11(17)8-5-14-15-6-8/h1-3,5-6H,(H,14,15)(H,16,17).
What are the key properties of N-(3-cyano-4-fluorophenyl)-1H-pyrazole-4-carboxamide?
N-(3-cyano-4-fluorophenyl)-1H-pyrazole-4-carboxamide has a molecular weight of 230.20 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4-fluorophenyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 62315667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).