3,5-bis(difluoromethyl)-1-methylpyrazole-4-carboxamide

C7H7F4N3O — CID 90189593

IUPAC3,5-bis(difluoromethyl)-1-methylpyrazole-4-carboxamide
SMILESCn1nc(C(F)F)c(C(N)=O)c1C(F)F
InChIInChI=1S/C7H7F4N3O/c1-14-4(6(10)11)2(7(12)15)3(13-14)5(8)9/h5-6H,1H3,(H2,12,15)
InChIKeyDTNLZJXAYJXDHX-UHFFFAOYSA-N
MW225.14 g/mol
LogP1.39
Rot. Bonds3

About 3,5-bis(difluoromethyl)-1-methylpyrazole-4-carboxamide

3,5-bis(difluoromethyl)-1-methylpyrazole-4-carboxamide (PubChem CID 90189593) has the molecular formula C7H7F4N3O and a molecular weight of 225.14 g/mol. Its IUPAC name is 3,5-bis(difluoromethyl)-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3,5-bis(difluoromethyl)-1-methylpyrazole-4-carboxamide
PubChem CID90189593
Molecular FormulaC7H7F4N3O
Molecular Weight225.14 g/mol
Exact Mass225.05
IUPAC Name3,5-bis(difluoromethyl)-1-methylpyrazole-4-carboxamide
SMILESCn1nc(C(F)F)c(C(N)=O)c1C(F)F
InChIInChI=1S/C7H7F4N3O/c1-14-4(6(10)11)2(7(12)15)3(13-14)5(8)9/h5-6H,1H3,(H2,12,15)
InChIKeyDTNLZJXAYJXDHX-UHFFFAOYSA-N
XLogP1.39
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.14
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,5-bis(difluoromethyl)-1-methylpyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(difluoromethyl)-1-methylpyrazole-4-carboxamide?
The IUPAC name of 3,5-bis(difluoromethyl)-1-methylpyrazole-4-carboxamide (CID 90189593) is 3,5-bis(difluoromethyl)-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for 3,5-bis(difluoromethyl)-1-methylpyrazole-4-carboxamide?
The canonical SMILES for 3,5-bis(difluoromethyl)-1-methylpyrazole-4-carboxamide is Cn1nc(C(F)F)c(C(N)=O)c1C(F)F.
What is the InChIKey of 3,5-bis(difluoromethyl)-1-methylpyrazole-4-carboxamide?
The InChIKey is DTNLZJXAYJXDHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F4N3O/c1-14-4(6(10)11)2(7(12)15)3(13-14)5(8)9/h5-6H,1H3,(H2,12,15).
What are the key properties of 3,5-bis(difluoromethyl)-1-methylpyrazole-4-carboxamide?
3,5-bis(difluoromethyl)-1-methylpyrazole-4-carboxamide has a molecular weight of 225.14 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(difluoromethyl)-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 90189593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).