1-(4-cyano-2-fluorophenyl)pyrazole-4-carboxamide

C11H7FN4O — CID 64782907

IUPAC1-(4-cyano-2-fluorophenyl)pyrazole-4-carboxamide
SMILESN#Cc1ccc(-n2cc(C(N)=O)cn2)c(F)c1
InChIInChI=1S/C11H7FN4O/c12-9-3-7(4-13)1-2-10(9)16-6-8(5-15-16)11(14)17/h1-3,5-6H,(H2,14,17)
InChIKeySIAIVQNYLOLBJL-UHFFFAOYSA-N
MW230.20 g/mol
LogP0.98
Rot. Bonds2

About 1-(4-cyano-2-fluorophenyl)pyrazole-4-carboxamide

1-(4-cyano-2-fluorophenyl)pyrazole-4-carboxamide (PubChem CID 64782907) has the molecular formula C11H7FN4O and a molecular weight of 230.20 g/mol. Its IUPAC name is 1-(4-cyano-2-fluorophenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-cyano-2-fluorophenyl)pyrazole-4-carboxamide
PubChem CID64782907
Molecular FormulaC11H7FN4O
Molecular Weight230.20 g/mol
Exact Mass230.06
IUPAC Name1-(4-cyano-2-fluorophenyl)pyrazole-4-carboxamide
SMILESN#Cc1ccc(-n2cc(C(N)=O)cn2)c(F)c1
InChIInChI=1S/C11H7FN4O/c12-9-3-7(4-13)1-2-10(9)16-6-8(5-15-16)11(14)17/h1-3,5-6H,(H2,14,17)
InChIKeySIAIVQNYLOLBJL-UHFFFAOYSA-N
XLogP0.98
TPSA84.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.20
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyano-2-fluorophenyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(4-cyano-2-fluorophenyl)pyrazole-4-carboxamide (CID 64782907) is 1-(4-cyano-2-fluorophenyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-cyano-2-fluorophenyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(4-cyano-2-fluorophenyl)pyrazole-4-carboxamide is N#Cc1ccc(-n2cc(C(N)=O)cn2)c(F)c1.
What is the InChIKey of 1-(4-cyano-2-fluorophenyl)pyrazole-4-carboxamide?
The InChIKey is SIAIVQNYLOLBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FN4O/c12-9-3-7(4-13)1-2-10(9)16-6-8(5-15-16)11(14)17/h1-3,5-6H,(H2,14,17).
What are the key properties of 1-(4-cyano-2-fluorophenyl)pyrazole-4-carboxamide?
1-(4-cyano-2-fluorophenyl)pyrazole-4-carboxamide has a molecular weight of 230.20 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyano-2-fluorophenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 64782907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).