5-fluoro-N-methyl-1H-pyrazole-4-carboxamide

C5H6FN3O — CID 67240177

IUPAC5-fluoro-N-methyl-1H-pyrazole-4-carboxamide
SMILESCNC(=O)c1cn[nH]c1F
InChIInChI=1S/C5H6FN3O/c1-7-5(10)3-2-8-9-4(3)6/h2H,1H3,(H,7,10)(H,8,9)
InChIKeyLHNITTQLSWQUML-UHFFFAOYSA-N
MW143.12 g/mol
LogP-0.09
Rot. Bonds1

About 5-fluoro-N-methyl-1H-pyrazole-4-carboxamide

5-fluoro-N-methyl-1H-pyrazole-4-carboxamide (PubChem CID 67240177) has the molecular formula C5H6FN3O and a molecular weight of 143.12 g/mol. Its IUPAC name is 5-fluoro-N-methyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-methyl-1H-pyrazole-4-carboxamide
PubChem CID67240177
Molecular FormulaC5H6FN3O
Molecular Weight143.12 g/mol
Exact Mass143.05
IUPAC Name5-fluoro-N-methyl-1H-pyrazole-4-carboxamide
SMILESCNC(=O)c1cn[nH]c1F
InChIInChI=1S/C5H6FN3O/c1-7-5(10)3-2-8-9-4(3)6/h2H,1H3,(H,7,10)(H,8,9)
InChIKeyLHNITTQLSWQUML-UHFFFAOYSA-N
XLogP-0.09
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.12
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-methyl-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-fluoro-N-methyl-1H-pyrazole-4-carboxamide (CID 67240177) is 5-fluoro-N-methyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-fluoro-N-methyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-fluoro-N-methyl-1H-pyrazole-4-carboxamide is CNC(=O)c1cn[nH]c1F.
What is the InChIKey of 5-fluoro-N-methyl-1H-pyrazole-4-carboxamide?
The InChIKey is LHNITTQLSWQUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6FN3O/c1-7-5(10)3-2-8-9-4(3)6/h2H,1H3,(H,7,10)(H,8,9).
What are the key properties of 5-fluoro-N-methyl-1H-pyrazole-4-carboxamide?
5-fluoro-N-methyl-1H-pyrazole-4-carboxamide has a molecular weight of 143.12 g/mol, XLogP of -0.09, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-methyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 67240177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).