5-(1-fluoro-2-methylpropan-2-yl)-1,3-dimethylpyrazole

C9H15FN2 — CID 135170466

IUPAC5-(1-fluoro-2-methylpropan-2-yl)-1,3-dimethylpyrazole
SMILESCc1cc(C(C)(C)CF)n(C)n1
InChIInChI=1S/C9H15FN2/c1-7-5-8(12(4)11-7)9(2,3)6-10/h5H,6H2,1-4H3
InChIKeyYNDDBFYDLZYWSH-UHFFFAOYSA-N
MW170.23 g/mol
LogP1.98
Rot. Bonds2

About 5-(1-fluoro-2-methylpropan-2-yl)-1,3-dimethylpyrazole

5-(1-fluoro-2-methylpropan-2-yl)-1,3-dimethylpyrazole (PubChem CID 135170466) has the molecular formula C9H15FN2 and a molecular weight of 170.23 g/mol. Its IUPAC name is 5-(1-fluoro-2-methylpropan-2-yl)-1,3-dimethylpyrazole.

Molecular Properties

Compound Name5-(1-fluoro-2-methylpropan-2-yl)-1,3-dimethylpyrazole
PubChem CID135170466
Molecular FormulaC9H15FN2
Molecular Weight170.23 g/mol
Exact Mass170.12
IUPAC Name5-(1-fluoro-2-methylpropan-2-yl)-1,3-dimethylpyrazole
SMILESCc1cc(C(C)(C)CF)n(C)n1
InChIInChI=1S/C9H15FN2/c1-7-5-8(12(4)11-7)9(2,3)6-10/h5H,6H2,1-4H3
InChIKeyYNDDBFYDLZYWSH-UHFFFAOYSA-N
XLogP1.98
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.23
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-(1-fluoro-2-methylpropan-2-yl)-1,3-dimethylpyrazole 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

5-(2-methoxypropan-2-yl)-1,3-dimethylpyrazole
CID 135170462
2-(2,5-dimethylpyrazol-3-yl)-2-methylbutanoic acid
CID 83831191
2-cyclopropyl-2-(2,5-dimethylpyrazol-3-yl)propan-1-amine
CID 83830552
1-cyclopropyl-1-(2,5-dimethylpyrazol-3-yl)ethanamine
CID 83828117
1-methyl-5-(2-methylbutan-2-yl)pyrazol-3-amine
CID 123813361
1,3-dimethyl-5-(2-pyrrolidin-3-ylpropan-2-yl)pyrazole
CID 83909101
3-(difluoromethylsulfanyl)-1-methyl-5-(2-methylbutan-2-yl)pyrazole
CID 129092914
5-(chloromethyl)-1,3-dimethylpyrazole
CID 4961270
5-tert-butyl-3-fluoro-1-methylpyrazole
CID 146376811
CID 88578905
CID 88578905
1-(2,5-dimethylpyrazol-3-yl)-2,2-dimethylpropan-1-ol
CID 105096744
5-tert-butyl-1-methyl-3-(2-methylbutan-2-yl)pyrazole
CID 170573347

Frequently Asked Questions

What is the IUPAC name of 5-(1-fluoro-2-methylpropan-2-yl)-1,3-dimethylpyrazole?
The IUPAC name of 5-(1-fluoro-2-methylpropan-2-yl)-1,3-dimethylpyrazole (CID 135170466) is 5-(1-fluoro-2-methylpropan-2-yl)-1,3-dimethylpyrazole.
What is the SMILES notation for 5-(1-fluoro-2-methylpropan-2-yl)-1,3-dimethylpyrazole?
The canonical SMILES for 5-(1-fluoro-2-methylpropan-2-yl)-1,3-dimethylpyrazole is Cc1cc(C(C)(C)CF)n(C)n1.
What is the InChIKey of 5-(1-fluoro-2-methylpropan-2-yl)-1,3-dimethylpyrazole?
The InChIKey is YNDDBFYDLZYWSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FN2/c1-7-5-8(12(4)11-7)9(2,3)6-10/h5H,6H2,1-4H3.
What are the key properties of 5-(1-fluoro-2-methylpropan-2-yl)-1,3-dimethylpyrazole?
5-(1-fluoro-2-methylpropan-2-yl)-1,3-dimethylpyrazole has a molecular weight of 170.23 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-fluoro-2-methylpropan-2-yl)-1,3-dimethylpyrazole is sourced from PubChem (CID 135170466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).