(2,6-difluoro-3-methylphenyl)-(2-propan-2-ylpyrazol-3-yl)methanone

C14H14F2N2O — CID 114197932

IUPAC(2,6-difluoro-3-methylphenyl)-(2-propan-2-ylpyrazol-3-yl)methanone
SMILESCc1ccc(F)c(C(=O)c2ccnn2C(C)C)c1F
InChIInChI=1S/C14H14F2N2O/c1-8(2)18-11(6-7-17-18)14(19)12-10(15)5-4-9(3)13(12)16/h4-8H,1-3H3
InChIKeyXYJCQODHGDKKDQ-UHFFFAOYSA-N
MW264.28 g/mol
LogP3.28
Rot. Bonds3

About (2,6-difluoro-3-methylphenyl)-(2-propan-2-ylpyrazol-3-yl)methanone

(2,6-difluoro-3-methylphenyl)-(2-propan-2-ylpyrazol-3-yl)methanone (PubChem CID 114197932) has the molecular formula C14H14F2N2O and a molecular weight of 264.28 g/mol. Its IUPAC name is (2,6-difluoro-3-methylphenyl)-(2-propan-2-ylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name(2,6-difluoro-3-methylphenyl)-(2-propan-2-ylpyrazol-3-yl)methanone
PubChem CID114197932
Molecular FormulaC14H14F2N2O
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name(2,6-difluoro-3-methylphenyl)-(2-propan-2-ylpyrazol-3-yl)methanone
SMILESCc1ccc(F)c(C(=O)c2ccnn2C(C)C)c1F
InChIInChI=1S/C14H14F2N2O/c1-8(2)18-11(6-7-17-18)14(19)12-10(15)5-4-9(3)13(12)16/h4-8H,1-3H3
InChIKeyXYJCQODHGDKKDQ-UHFFFAOYSA-N
XLogP3.28
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2,6-difluoro-3-methylphenyl)-(2-propan-2-ylpyrazol-3-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,6-difluorophenyl)-(2-propan-2-ylpyrazol-3-yl)methanone
CID 114197545
(2,6-difluoro-3-methylphenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone
CID 115810393
2-propan-2-ylpyrazole-3-carboxylate
CID 7276397
(2-fluoro-4-methoxyphenyl)-(2-propan-2-ylpyrazol-3-yl)methanone
CID 114197549
(4-bromo-2-methylphenyl)-(2-propan-2-ylpyrazol-3-yl)methanone
CID 114197562
(3-amino-2-methylphenyl)-(2-propan-2-ylpyrazol-3-yl)methanone
CID 114197906
(2,6-difluoro-3-methylphenyl)-(3,5-difluorophenyl)methanone
CID 82819637
(2,6-difluoro-3-methylphenyl)-pyrazin-2-ylmethanone
CID 82820337
(4-fluoro-3-methylphenyl)-(2-methylpyrazol-3-yl)methanone
CID 63960955
1-(2,6-difluoro-3-methylphenyl)-2-(furan-3-yl)ethanone
CID 115795792
(1,3-diethylpyrazol-5-yl)-(2-propan-2-ylpyrazol-3-yl)methanone
CID 114197956
(4-tert-butylphenyl)-(2,6-difluoro-3-methylphenyl)methanone
CID 82798017

Frequently Asked Questions

What is the IUPAC name of (2,6-difluoro-3-methylphenyl)-(2-propan-2-ylpyrazol-3-yl)methanone?
The IUPAC name of (2,6-difluoro-3-methylphenyl)-(2-propan-2-ylpyrazol-3-yl)methanone (CID 114197932) is (2,6-difluoro-3-methylphenyl)-(2-propan-2-ylpyrazol-3-yl)methanone.
What is the SMILES notation for (2,6-difluoro-3-methylphenyl)-(2-propan-2-ylpyrazol-3-yl)methanone?
The canonical SMILES for (2,6-difluoro-3-methylphenyl)-(2-propan-2-ylpyrazol-3-yl)methanone is Cc1ccc(F)c(C(=O)c2ccnn2C(C)C)c1F.
What is the InChIKey of (2,6-difluoro-3-methylphenyl)-(2-propan-2-ylpyrazol-3-yl)methanone?
The InChIKey is XYJCQODHGDKKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O/c1-8(2)18-11(6-7-17-18)14(19)12-10(15)5-4-9(3)13(12)16/h4-8H,1-3H3.
What are the key properties of (2,6-difluoro-3-methylphenyl)-(2-propan-2-ylpyrazol-3-yl)methanone?
(2,6-difluoro-3-methylphenyl)-(2-propan-2-ylpyrazol-3-yl)methanone has a molecular weight of 264.28 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluoro-3-methylphenyl)-(2-propan-2-ylpyrazol-3-yl)methanone is sourced from PubChem (CID 114197932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).