4-(fluoromethyl)-1H-pyrazole-5-carboxamide

C5H6FN3O — CID 141375751

IUPAC4-(fluoromethyl)-1H-pyrazole-5-carboxamide
SMILESNC(=O)c1[nH]ncc1CF
InChIInChI=1S/C5H6FN3O/c6-1-3-2-8-9-4(3)5(7)10/h2H,1H2,(H2,7,10)(H,8,9)
InChIKeyQFLGWCKGUMRANC-UHFFFAOYSA-N
MW143.12 g/mol
LogP-0.02
Rot. Bonds2

About 4-(fluoromethyl)-1H-pyrazole-5-carboxamide

4-(fluoromethyl)-1H-pyrazole-5-carboxamide (PubChem CID 141375751) has the molecular formula C5H6FN3O and a molecular weight of 143.12 g/mol. Its IUPAC name is 4-(fluoromethyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-(fluoromethyl)-1H-pyrazole-5-carboxamide
PubChem CID141375751
Molecular FormulaC5H6FN3O
Molecular Weight143.12 g/mol
Exact Mass143.05
IUPAC Name4-(fluoromethyl)-1H-pyrazole-5-carboxamide
SMILESNC(=O)c1[nH]ncc1CF
InChIInChI=1S/C5H6FN3O/c6-1-3-2-8-9-4(3)5(7)10/h2H,1H2,(H2,7,10)(H,8,9)
InChIKeyQFLGWCKGUMRANC-UHFFFAOYSA-N
XLogP-0.02
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.12
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1H-Pyrazole-5-carboxamide
CID 15239624
2H,6H,7H-pyrazolo(3,4-d)pyridazin-7-one
CID 15451646
4-methyl-1H-pyrazole-5-carbaldehyde
CID 15906386
4-methyl-1H-pyrazole-3-carbohydrazide
CID 13405304
4-methyl-1H-pyrazole-3-carboxamide
CID 19376020
4-Chloro-1H-pyrazole-3-carboxamide
CID 46318315
4-Fluoro-1h-pyrazole-3-carboxamide
CID 15374528
Pyrazole-3,4-dicarboxamide
CID 23164597
5-(Trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 66781137
4-methyl-1H-pyrazole-3-carbaldehyde hydrochloride
CID 91662857
4-Methylpyrazole-3-carboxamide hydrochloride
CID 19376019
1h-Pyrazole-3-carboxamide hydrochloride
CID 53486373

Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-(fluoromethyl)-1H-pyrazole-5-carboxamide (CID 141375751) is 4-(fluoromethyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-(fluoromethyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-(fluoromethyl)-1H-pyrazole-5-carboxamide is NC(=O)c1[nH]ncc1CF.
What is the InChIKey of 4-(fluoromethyl)-1H-pyrazole-5-carboxamide?
The InChIKey is QFLGWCKGUMRANC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6FN3O/c6-1-3-2-8-9-4(3)5(7)10/h2H,1H2,(H2,7,10)(H,8,9).
What are the key properties of 4-(fluoromethyl)-1H-pyrazole-5-carboxamide?
4-(fluoromethyl)-1H-pyrazole-5-carboxamide has a molecular weight of 143.12 g/mol, XLogP of -0.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 141375751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).