3-(difluoromethyl)-N-(1-hydroxypropan-2-yl)-1-methylpyrazole-4-carboxamide

C9H13F2N3O2 — CID 58231452

IUPAC3-(difluoromethyl)-N-(1-hydroxypropan-2-yl)-1-methylpyrazole-4-carboxamide
SMILESCC(CO)NC(=O)c1cn(C)nc1C(F)F
InChIInChI=1S/C9H13F2N3O2/c1-5(4-15)12-9(16)6-3-14(2)13-7(6)8(10)11/h3,5,8,15H,4H2,1-2H3,(H,12,16)
InChIKeyTWSCETJZDIEXOD-UHFFFAOYSA-N
MW233.22 g/mol
LogP0.47
Rot. Bonds4

About 3-(difluoromethyl)-N-(1-hydroxypropan-2-yl)-1-methylpyrazole-4-carboxamide

3-(difluoromethyl)-N-(1-hydroxypropan-2-yl)-1-methylpyrazole-4-carboxamide (PubChem CID 58231452) has the molecular formula C9H13F2N3O2 and a molecular weight of 233.22 g/mol. Its IUPAC name is 3-(difluoromethyl)-N-(1-hydroxypropan-2-yl)-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(difluoromethyl)-N-(1-hydroxypropan-2-yl)-1-methylpyrazole-4-carboxamide
PubChem CID58231452
Molecular FormulaC9H13F2N3O2
Molecular Weight233.22 g/mol
Exact Mass233.10
IUPAC Name3-(difluoromethyl)-N-(1-hydroxypropan-2-yl)-1-methylpyrazole-4-carboxamide
SMILESCC(CO)NC(=O)c1cn(C)nc1C(F)F
InChIInChI=1S/C9H13F2N3O2/c1-5(4-15)12-9(16)6-3-14(2)13-7(6)8(10)11/h3,5,8,15H,4H2,1-2H3,(H,12,16)
InChIKeyTWSCETJZDIEXOD-UHFFFAOYSA-N
XLogP0.47
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-N-(1-hydroxypropan-2-yl)-1-methylpyrazole-4-carboxamide?
The IUPAC name of 3-(difluoromethyl)-N-(1-hydroxypropan-2-yl)-1-methylpyrazole-4-carboxamide (CID 58231452) is 3-(difluoromethyl)-N-(1-hydroxypropan-2-yl)-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for 3-(difluoromethyl)-N-(1-hydroxypropan-2-yl)-1-methylpyrazole-4-carboxamide?
The canonical SMILES for 3-(difluoromethyl)-N-(1-hydroxypropan-2-yl)-1-methylpyrazole-4-carboxamide is CC(CO)NC(=O)c1cn(C)nc1C(F)F.
What is the InChIKey of 3-(difluoromethyl)-N-(1-hydroxypropan-2-yl)-1-methylpyrazole-4-carboxamide?
The InChIKey is TWSCETJZDIEXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2N3O2/c1-5(4-15)12-9(16)6-3-14(2)13-7(6)8(10)11/h3,5,8,15H,4H2,1-2H3,(H,12,16).
What are the key properties of 3-(difluoromethyl)-N-(1-hydroxypropan-2-yl)-1-methylpyrazole-4-carboxamide?
3-(difluoromethyl)-N-(1-hydroxypropan-2-yl)-1-methylpyrazole-4-carboxamide has a molecular weight of 233.22 g/mol, XLogP of 0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-N-(1-hydroxypropan-2-yl)-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 58231452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).