1-[2-(1,3-difluoropropan-2-yl)pyrazol-3-yl]-2,2-dimethylpropan-1-one

C11H16F2N2O — CID 168852256

IUPAC1-[2-(1,3-difluoropropan-2-yl)pyrazol-3-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)c1ccnn1C(CF)CF
InChIInChI=1S/C11H16F2N2O/c1-11(2,3)10(16)9-4-5-14-15(9)8(6-12)7-13/h4-5,8H,6-7H2,1-3H3
InChIKeyOUWXFIGDEPUQDU-UHFFFAOYSA-N
MW230.26 g/mol
LogP2.59
Rot. Bonds4

About 1-[2-(1,3-difluoropropan-2-yl)pyrazol-3-yl]-2,2-dimethylpropan-1-one

1-[2-(1,3-difluoropropan-2-yl)pyrazol-3-yl]-2,2-dimethylpropan-1-one (PubChem CID 168852256) has the molecular formula C11H16F2N2O and a molecular weight of 230.26 g/mol. Its IUPAC name is 1-[2-(1,3-difluoropropan-2-yl)pyrazol-3-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[2-(1,3-difluoropropan-2-yl)pyrazol-3-yl]-2,2-dimethylpropan-1-one
PubChem CID168852256
Molecular FormulaC11H16F2N2O
Molecular Weight230.26 g/mol
Exact Mass230.12
IUPAC Name1-[2-(1,3-difluoropropan-2-yl)pyrazol-3-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)c1ccnn1C(CF)CF
InChIInChI=1S/C11H16F2N2O/c1-11(2,3)10(16)9-4-5-14-15(9)8(6-12)7-13/h4-5,8H,6-7H2,1-3H3
InChIKeyOUWXFIGDEPUQDU-UHFFFAOYSA-N
XLogP2.59
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,3-difluoropropan-2-yl)pyrazol-3-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[2-(1,3-difluoropropan-2-yl)pyrazol-3-yl]-2,2-dimethylpropan-1-one (CID 168852256) is 1-[2-(1,3-difluoropropan-2-yl)pyrazol-3-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[2-(1,3-difluoropropan-2-yl)pyrazol-3-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[2-(1,3-difluoropropan-2-yl)pyrazol-3-yl]-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)c1ccnn1C(CF)CF.
What is the InChIKey of 1-[2-(1,3-difluoropropan-2-yl)pyrazol-3-yl]-2,2-dimethylpropan-1-one?
The InChIKey is OUWXFIGDEPUQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2O/c1-11(2,3)10(16)9-4-5-14-15(9)8(6-12)7-13/h4-5,8H,6-7H2,1-3H3.
What are the key properties of 1-[2-(1,3-difluoropropan-2-yl)pyrazol-3-yl]-2,2-dimethylpropan-1-one?
1-[2-(1,3-difluoropropan-2-yl)pyrazol-3-yl]-2,2-dimethylpropan-1-one has a molecular weight of 230.26 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,3-difluoropropan-2-yl)pyrazol-3-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 168852256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).