3-(difluoromethyl)-1-methyl-N-propan-2-ylpyrazole-4-carboxamide

C9H13F2N3O — CID 167378519

IUPAC3-(difluoromethyl)-1-methyl-N-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)NC(=O)c1cn(C)nc1C(F)F
InChIInChI=1S/C9H13F2N3O/c1-5(2)12-9(15)6-4-14(3)13-7(6)8(10)11/h4-5,8H,1-3H3,(H,12,15)
InChIKeyMIVXVQLFIFQWRR-UHFFFAOYSA-N
MW217.22 g/mol
LogP1.50
Rot. Bonds3

About 3-(difluoromethyl)-1-methyl-N-propan-2-ylpyrazole-4-carboxamide

3-(difluoromethyl)-1-methyl-N-propan-2-ylpyrazole-4-carboxamide (PubChem CID 167378519) has the molecular formula C9H13F2N3O and a molecular weight of 217.22 g/mol. Its IUPAC name is 3-(difluoromethyl)-1-methyl-N-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(difluoromethyl)-1-methyl-N-propan-2-ylpyrazole-4-carboxamide
PubChem CID167378519
Molecular FormulaC9H13F2N3O
Molecular Weight217.22 g/mol
Exact Mass217.10
IUPAC Name3-(difluoromethyl)-1-methyl-N-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)NC(=O)c1cn(C)nc1C(F)F
InChIInChI=1S/C9H13F2N3O/c1-5(2)12-9(15)6-4-14(3)13-7(6)8(10)11/h4-5,8H,1-3H3,(H,12,15)
InChIKeyMIVXVQLFIFQWRR-UHFFFAOYSA-N
XLogP1.50
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-1-methyl-N-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of 3-(difluoromethyl)-1-methyl-N-propan-2-ylpyrazole-4-carboxamide (CID 167378519) is 3-(difluoromethyl)-1-methyl-N-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 3-(difluoromethyl)-1-methyl-N-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 3-(difluoromethyl)-1-methyl-N-propan-2-ylpyrazole-4-carboxamide is CC(C)NC(=O)c1cn(C)nc1C(F)F.
What is the InChIKey of 3-(difluoromethyl)-1-methyl-N-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is MIVXVQLFIFQWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2N3O/c1-5(2)12-9(15)6-4-14(3)13-7(6)8(10)11/h4-5,8H,1-3H3,(H,12,15).
What are the key properties of 3-(difluoromethyl)-1-methyl-N-propan-2-ylpyrazole-4-carboxamide?
3-(difluoromethyl)-1-methyl-N-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 217.22 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-1-methyl-N-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 167378519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).