5-fluoro-1H-pyrazole-3-carboxamide

C4H4FN3O — CID 134398214

IUPAC5-fluoro-1H-pyrazole-3-carboxamide
SMILESNC(=O)c1cc(F)[nH]n1
InChIInChI=1S/C4H4FN3O/c5-3-1-2(4(6)9)7-8-3/h1H,(H2,6,9)(H,7,8)
InChIKeyHZNRAXUWPZHJPV-UHFFFAOYSA-N
MW129.09 g/mol
LogP-0.35
Rot. Bonds1

About 5-fluoro-1H-pyrazole-3-carboxamide

5-fluoro-1H-pyrazole-3-carboxamide (PubChem CID 134398214) has the molecular formula C4H4FN3O and a molecular weight of 129.09 g/mol. Its IUPAC name is 5-fluoro-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-fluoro-1H-pyrazole-3-carboxamide
PubChem CID134398214
Molecular FormulaC4H4FN3O
Molecular Weight129.09 g/mol
Exact Mass129.03
IUPAC Name5-fluoro-1H-pyrazole-3-carboxamide
SMILESNC(=O)c1cc(F)[nH]n1
InChIInChI=1S/C4H4FN3O/c5-3-1-2(4(6)9)7-8-3/h1H,(H2,6,9)(H,7,8)
InChIKeyHZNRAXUWPZHJPV-UHFFFAOYSA-N
XLogP-0.35
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.09
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-fluoro-1H-pyrazole-3-carboxamide (CID 134398214) is 5-fluoro-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-fluoro-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-fluoro-1H-pyrazole-3-carboxamide is NC(=O)c1cc(F)[nH]n1.
What is the InChIKey of 5-fluoro-1H-pyrazole-3-carboxamide?
The InChIKey is HZNRAXUWPZHJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4FN3O/c5-3-1-2(4(6)9)7-8-3/h1H,(H2,6,9)(H,7,8).
What are the key properties of 5-fluoro-1H-pyrazole-3-carboxamide?
5-fluoro-1H-pyrazole-3-carboxamide has a molecular weight of 129.09 g/mol, XLogP of -0.35, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 134398214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).