2-(fluoromethyl)pyrazole-3-carboxamide

C5H6FN3O — CID 141169291

IUPAC2-(fluoromethyl)pyrazole-3-carboxamide
SMILESNC(=O)c1ccnn1CF
InChIInChI=1S/C5H6FN3O/c6-3-9-4(5(7)10)1-2-8-9/h1-2H,3H2,(H2,7,10)
InChIKeyGPGBPZBSSAVKER-UHFFFAOYSA-N
MW143.12 g/mol
LogP-0.09
Rot. Bonds2

About 2-(fluoromethyl)pyrazole-3-carboxamide

2-(fluoromethyl)pyrazole-3-carboxamide (PubChem CID 141169291) has the molecular formula C5H6FN3O and a molecular weight of 143.12 g/mol. Its IUPAC name is 2-(fluoromethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-(fluoromethyl)pyrazole-3-carboxamide
PubChem CID141169291
Molecular FormulaC5H6FN3O
Molecular Weight143.12 g/mol
Exact Mass143.05
IUPAC Name2-(fluoromethyl)pyrazole-3-carboxamide
SMILESNC(=O)c1ccnn1CF
InChIInChI=1S/C5H6FN3O/c6-3-9-4(5(7)10)1-2-8-9/h1-2H,3H2,(H2,7,10)
InChIKeyGPGBPZBSSAVKER-UHFFFAOYSA-N
XLogP-0.09
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.12
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)pyrazole-3-carboxamide?
The IUPAC name of 2-(fluoromethyl)pyrazole-3-carboxamide (CID 141169291) is 2-(fluoromethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 2-(fluoromethyl)pyrazole-3-carboxamide?
The canonical SMILES for 2-(fluoromethyl)pyrazole-3-carboxamide is NC(=O)c1ccnn1CF.
What is the InChIKey of 2-(fluoromethyl)pyrazole-3-carboxamide?
The InChIKey is GPGBPZBSSAVKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6FN3O/c6-3-9-4(5(7)10)1-2-8-9/h1-2H,3H2,(H2,7,10).
What are the key properties of 2-(fluoromethyl)pyrazole-3-carboxamide?
2-(fluoromethyl)pyrazole-3-carboxamide has a molecular weight of 143.12 g/mol, XLogP of -0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 141169291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).