3-(difluoromethyl)-5-fluoro-1-methyl-N-propylpyrazole-4-carboxamide

C9H12F3N3O — CID 141399186

IUPAC3-(difluoromethyl)-5-fluoro-1-methyl-N-propylpyrazole-4-carboxamide
SMILESCCCNC(=O)c1c(C(F)F)nn(C)c1F
InChIInChI=1S/C9H12F3N3O/c1-3-4-13-9(16)5-6(7(10)11)14-15(2)8(5)12/h7H,3-4H2,1-2H3,(H,13,16)
InChIKeyDXWHGZSSRIRTOF-UHFFFAOYSA-N
MW235.21 g/mol
LogP1.64
Rot. Bonds4

About 3-(difluoromethyl)-5-fluoro-1-methyl-N-propylpyrazole-4-carboxamide

3-(difluoromethyl)-5-fluoro-1-methyl-N-propylpyrazole-4-carboxamide (PubChem CID 141399186) has the molecular formula C9H12F3N3O and a molecular weight of 235.21 g/mol. Its IUPAC name is 3-(difluoromethyl)-5-fluoro-1-methyl-N-propylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(difluoromethyl)-5-fluoro-1-methyl-N-propylpyrazole-4-carboxamide
PubChem CID141399186
Molecular FormulaC9H12F3N3O
Molecular Weight235.21 g/mol
Exact Mass235.09
IUPAC Name3-(difluoromethyl)-5-fluoro-1-methyl-N-propylpyrazole-4-carboxamide
SMILESCCCNC(=O)c1c(C(F)F)nn(C)c1F
InChIInChI=1S/C9H12F3N3O/c1-3-4-13-9(16)5-6(7(10)11)14-15(2)8(5)12/h7H,3-4H2,1-2H3,(H,13,16)
InChIKeyDXWHGZSSRIRTOF-UHFFFAOYSA-N
XLogP1.64
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-5-fluoro-1-methyl-N-propylpyrazole-4-carboxamide?
The IUPAC name of 3-(difluoromethyl)-5-fluoro-1-methyl-N-propylpyrazole-4-carboxamide (CID 141399186) is 3-(difluoromethyl)-5-fluoro-1-methyl-N-propylpyrazole-4-carboxamide.
What is the SMILES notation for 3-(difluoromethyl)-5-fluoro-1-methyl-N-propylpyrazole-4-carboxamide?
The canonical SMILES for 3-(difluoromethyl)-5-fluoro-1-methyl-N-propylpyrazole-4-carboxamide is CCCNC(=O)c1c(C(F)F)nn(C)c1F.
What is the InChIKey of 3-(difluoromethyl)-5-fluoro-1-methyl-N-propylpyrazole-4-carboxamide?
The InChIKey is DXWHGZSSRIRTOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O/c1-3-4-13-9(16)5-6(7(10)11)14-15(2)8(5)12/h7H,3-4H2,1-2H3,(H,13,16).
What are the key properties of 3-(difluoromethyl)-5-fluoro-1-methyl-N-propylpyrazole-4-carboxamide?
3-(difluoromethyl)-5-fluoro-1-methyl-N-propylpyrazole-4-carboxamide has a molecular weight of 235.21 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-5-fluoro-1-methyl-N-propylpyrazole-4-carboxamide is sourced from PubChem (CID 141399186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).