3-(difluoromethyl)-5-fluoro-1-methyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide

C11H14F3N3O2 — CID 57335575

IUPAC3-(difluoromethyl)-5-fluoro-1-methyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide
SMILESCn1nc(C(F)F)c(C(=O)NCC2CCCO2)c1F
InChIInChI=1S/C11H14F3N3O2/c1-17-10(14)7(8(16-17)9(12)13)11(18)15-5-6-3-2-4-19-6/h6,9H,2-5H2,1H3,(H,15,18)
InChIKeyAYXIQUODYQPVML-UHFFFAOYSA-N
MW277.25 g/mol
LogP1.41
Rot. Bonds4

About 3-(difluoromethyl)-5-fluoro-1-methyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide

3-(difluoromethyl)-5-fluoro-1-methyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide (PubChem CID 57335575) has the molecular formula C11H14F3N3O2 and a molecular weight of 277.25 g/mol. Its IUPAC name is 3-(difluoromethyl)-5-fluoro-1-methyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(difluoromethyl)-5-fluoro-1-methyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide
PubChem CID57335575
Molecular FormulaC11H14F3N3O2
Molecular Weight277.25 g/mol
Exact Mass277.10
IUPAC Name3-(difluoromethyl)-5-fluoro-1-methyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide
SMILESCn1nc(C(F)F)c(C(=O)NCC2CCCO2)c1F
InChIInChI=1S/C11H14F3N3O2/c1-17-10(14)7(8(16-17)9(12)13)11(18)15-5-6-3-2-4-19-6/h6,9H,2-5H2,1H3,(H,15,18)
InChIKeyAYXIQUODYQPVML-UHFFFAOYSA-N
XLogP1.41
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(difluoromethyl)-5-fluoro-1-methyl-N-(oxolan-2-ylmethyl)pyrazole-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-(difluoromethyl)-5-fluoro-1-methyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide?
The IUPAC name of 3-(difluoromethyl)-5-fluoro-1-methyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide (CID 57335575) is 3-(difluoromethyl)-5-fluoro-1-methyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 3-(difluoromethyl)-5-fluoro-1-methyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide?
The canonical SMILES for 3-(difluoromethyl)-5-fluoro-1-methyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide is Cn1nc(C(F)F)c(C(=O)NCC2CCCO2)c1F.
What is the InChIKey of 3-(difluoromethyl)-5-fluoro-1-methyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide?
The InChIKey is AYXIQUODYQPVML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O2/c1-17-10(14)7(8(16-17)9(12)13)11(18)15-5-6-3-2-4-19-6/h6,9H,2-5H2,1H3,(H,15,18).
What are the key properties of 3-(difluoromethyl)-5-fluoro-1-methyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide?
3-(difluoromethyl)-5-fluoro-1-methyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide has a molecular weight of 277.25 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-5-fluoro-1-methyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 57335575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).