3-(difluoromethyl)pyrazole-1-carboxamide

C5H5F2N3O — CID 57155417

IUPAC3-(difluoromethyl)pyrazole-1-carboxamide
SMILESNC(=O)n1ccc(C(F)F)n1
InChIInChI=1S/C5H5F2N3O/c6-4(7)3-1-2-10(9-3)5(8)11/h1-2,4H,(H2,8,11)
InChIKeyPZSFSKGNPQRKPT-UHFFFAOYSA-N
MW161.11 g/mol
LogP0.75
Rot. Bonds1

About 3-(difluoromethyl)pyrazole-1-carboxamide

3-(difluoromethyl)pyrazole-1-carboxamide (PubChem CID 57155417) has the molecular formula C5H5F2N3O and a molecular weight of 161.11 g/mol. Its IUPAC name is 3-(difluoromethyl)pyrazole-1-carboxamide.

Molecular Properties

Compound Name3-(difluoromethyl)pyrazole-1-carboxamide
PubChem CID57155417
Molecular FormulaC5H5F2N3O
Molecular Weight161.11 g/mol
Exact Mass161.04
IUPAC Name3-(difluoromethyl)pyrazole-1-carboxamide
SMILESNC(=O)n1ccc(C(F)F)n1
InChIInChI=1S/C5H5F2N3O/c6-4(7)3-1-2-10(9-3)5(8)11/h1-2,4H,(H2,8,11)
InChIKeyPZSFSKGNPQRKPT-UHFFFAOYSA-N
XLogP0.75
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.11
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)pyrazole-1-carboxamide?
The IUPAC name of 3-(difluoromethyl)pyrazole-1-carboxamide (CID 57155417) is 3-(difluoromethyl)pyrazole-1-carboxamide.
What is the SMILES notation for 3-(difluoromethyl)pyrazole-1-carboxamide?
The canonical SMILES for 3-(difluoromethyl)pyrazole-1-carboxamide is NC(=O)n1ccc(C(F)F)n1.
What is the InChIKey of 3-(difluoromethyl)pyrazole-1-carboxamide?
The InChIKey is PZSFSKGNPQRKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F2N3O/c6-4(7)3-1-2-10(9-3)5(8)11/h1-2,4H,(H2,8,11).
What are the key properties of 3-(difluoromethyl)pyrazole-1-carboxamide?
3-(difluoromethyl)pyrazole-1-carboxamide has a molecular weight of 161.11 g/mol, XLogP of 0.75, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)pyrazole-1-carboxamide is sourced from PubChem (CID 57155417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).