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

C6H6F3N3O — CID 90102522

IUPAC3-(difluoromethyl)-5-(fluoromethyl)-1H-pyrazole-4-carboxamide
SMILESNC(=O)c1c(C(F)F)n[nH]c1CF
InChIInChI=1S/C6H6F3N3O/c7-1-2-3(6(10)13)4(5(8)9)12-11-2/h5H,1H2,(H2,10,13)(H,11,12)
InChIKeyFQSUTQXKJRRYPA-UHFFFAOYSA-N
MW193.13 g/mol
LogP0.92
Rot. Bonds3

About 3-(difluoromethyl)-5-(fluoromethyl)-1H-pyrazole-4-carboxamide

3-(difluoromethyl)-5-(fluoromethyl)-1H-pyrazole-4-carboxamide (PubChem CID 90102522) has the molecular formula C6H6F3N3O and a molecular weight of 193.13 g/mol. Its IUPAC name is 3-(difluoromethyl)-5-(fluoromethyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(difluoromethyl)-5-(fluoromethyl)-1H-pyrazole-4-carboxamide
PubChem CID90102522
Molecular FormulaC6H6F3N3O
Molecular Weight193.13 g/mol
Exact Mass193.05
IUPAC Name3-(difluoromethyl)-5-(fluoromethyl)-1H-pyrazole-4-carboxamide
SMILESNC(=O)c1c(C(F)F)n[nH]c1CF
InChIInChI=1S/C6H6F3N3O/c7-1-2-3(6(10)13)4(5(8)9)12-11-2/h5H,1H2,(H2,10,13)(H,11,12)
InChIKeyFQSUTQXKJRRYPA-UHFFFAOYSA-N
XLogP0.92
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.13
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-5-(fluoromethyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of 3-(difluoromethyl)-5-(fluoromethyl)-1H-pyrazole-4-carboxamide (CID 90102522) is 3-(difluoromethyl)-5-(fluoromethyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3-(difluoromethyl)-5-(fluoromethyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3-(difluoromethyl)-5-(fluoromethyl)-1H-pyrazole-4-carboxamide is NC(=O)c1c(C(F)F)n[nH]c1CF.
What is the InChIKey of 3-(difluoromethyl)-5-(fluoromethyl)-1H-pyrazole-4-carboxamide?
The InChIKey is FQSUTQXKJRRYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N3O/c7-1-2-3(6(10)13)4(5(8)9)12-11-2/h5H,1H2,(H2,10,13)(H,11,12).
What are the key properties of 3-(difluoromethyl)-5-(fluoromethyl)-1H-pyrazole-4-carboxamide?
3-(difluoromethyl)-5-(fluoromethyl)-1H-pyrazole-4-carboxamide has a molecular weight of 193.13 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-5-(fluoromethyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 90102522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).