2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-propan-2-ylacetamide

C10H15F2N3O — CID 832051

IUPAC2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-propan-2-ylacetamide
SMILESCc1cc(C(F)F)nn1CC(=O)NC(C)C
InChIInChI=1S/C10H15F2N3O/c1-6(2)13-9(16)5-15-7(3)4-8(14-15)10(11)12/h4,6,10H,5H2,1-3H3,(H,13,16)
InChIKeyBBWOVJVSKFINIT-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.65
Rot. Bonds4

About 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-propan-2-ylacetamide

2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-propan-2-ylacetamide (PubChem CID 832051) has the molecular formula C10H15F2N3O and a molecular weight of 231.25 g/mol. Its IUPAC name is 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-propan-2-ylacetamide
PubChem CID832051
Molecular FormulaC10H15F2N3O
Molecular Weight231.25 g/mol
Exact Mass231.12
IUPAC Name2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-propan-2-ylacetamide
SMILESCc1cc(C(F)F)nn1CC(=O)NC(C)C
InChIInChI=1S/C10H15F2N3O/c1-6(2)13-9(16)5-15-7(3)4-8(14-15)10(11)12/h4,6,10H,5H2,1-3H3,(H,13,16)
InChIKeyBBWOVJVSKFINIT-UHFFFAOYSA-N
XLogP1.65
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-propan-2-ylacetamide (CID 832051) is 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-propan-2-ylacetamide is Cc1cc(C(F)F)nn1CC(=O)NC(C)C.
What is the InChIKey of 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-propan-2-ylacetamide?
The InChIKey is BBWOVJVSKFINIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2N3O/c1-6(2)13-9(16)5-15-7(3)4-8(14-15)10(11)12/h4,6,10H,5H2,1-3H3,(H,13,16).
What are the key properties of 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-propan-2-ylacetamide?
2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-propan-2-ylacetamide has a molecular weight of 231.25 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 832051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).