3-cyano-1-(2-fluoro-2-methylpropyl)pyrazole-4-carboxamide

C9H11FN4O — CID 169217983

IUPAC3-cyano-1-(2-fluoro-2-methylpropyl)pyrazole-4-carboxamide
SMILESCC(C)(F)Cn1cc(C(N)=O)c(C#N)n1
InChIInChI=1S/C9H11FN4O/c1-9(2,10)5-14-4-6(8(12)15)7(3-11)13-14/h4H,5H2,1-2H3,(H2,12,15)
InChIKeyLXAPQVRBDXYUBZ-UHFFFAOYSA-N
MW210.21 g/mol
LogP0.60
Rot. Bonds3

About 3-cyano-1-(2-fluoro-2-methylpropyl)pyrazole-4-carboxamide

3-cyano-1-(2-fluoro-2-methylpropyl)pyrazole-4-carboxamide (PubChem CID 169217983) has the molecular formula C9H11FN4O and a molecular weight of 210.21 g/mol. Its IUPAC name is 3-cyano-1-(2-fluoro-2-methylpropyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-cyano-1-(2-fluoro-2-methylpropyl)pyrazole-4-carboxamide
PubChem CID169217983
Molecular FormulaC9H11FN4O
Molecular Weight210.21 g/mol
Exact Mass210.09
IUPAC Name3-cyano-1-(2-fluoro-2-methylpropyl)pyrazole-4-carboxamide
SMILESCC(C)(F)Cn1cc(C(N)=O)c(C#N)n1
InChIInChI=1S/C9H11FN4O/c1-9(2,10)5-14-4-6(8(12)15)7(3-11)13-14/h4H,5H2,1-2H3,(H2,12,15)
InChIKeyLXAPQVRBDXYUBZ-UHFFFAOYSA-N
XLogP0.60
TPSA84.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.21
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyano-1-(2-fluoro-2-methylpropyl)pyrazole-4-carboxamide?
The IUPAC name of 3-cyano-1-(2-fluoro-2-methylpropyl)pyrazole-4-carboxamide (CID 169217983) is 3-cyano-1-(2-fluoro-2-methylpropyl)pyrazole-4-carboxamide.
What is the SMILES notation for 3-cyano-1-(2-fluoro-2-methylpropyl)pyrazole-4-carboxamide?
The canonical SMILES for 3-cyano-1-(2-fluoro-2-methylpropyl)pyrazole-4-carboxamide is CC(C)(F)Cn1cc(C(N)=O)c(C#N)n1.
What is the InChIKey of 3-cyano-1-(2-fluoro-2-methylpropyl)pyrazole-4-carboxamide?
The InChIKey is LXAPQVRBDXYUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN4O/c1-9(2,10)5-14-4-6(8(12)15)7(3-11)13-14/h4H,5H2,1-2H3,(H2,12,15).
What are the key properties of 3-cyano-1-(2-fluoro-2-methylpropyl)pyrazole-4-carboxamide?
3-cyano-1-(2-fluoro-2-methylpropyl)pyrazole-4-carboxamide has a molecular weight of 210.21 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-1-(2-fluoro-2-methylpropyl)pyrazole-4-carboxamide is sourced from PubChem (CID 169217983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).