5-(1-phenylpropan-2-yl)-3-(trifluoromethyl)-1H-pyrazole

C13H13F3N2 — CID 154716508

IUPAC5-(1-phenylpropan-2-yl)-3-(trifluoromethyl)-1H-pyrazole
SMILESCC(Cc1ccccc1)c1cc(C(F)(F)F)n[nH]1
InChIInChI=1S/C13H13F3N2/c1-9(7-10-5-3-2-4-6-10)11-8-12(18-17-11)13(14,15)16/h2-6,8-9H,7H2,1H3,(H,17,18)
InChIKeyPHVJDHFQSSEKNK-UHFFFAOYSA-N
MW254.26 g/mol
LogP3.77
Rot. Bonds3

About 5-(1-phenylpropan-2-yl)-3-(trifluoromethyl)-1H-pyrazole

5-(1-phenylpropan-2-yl)-3-(trifluoromethyl)-1H-pyrazole (PubChem CID 154716508) has the molecular formula C13H13F3N2 and a molecular weight of 254.26 g/mol. Its IUPAC name is 5-(1-phenylpropan-2-yl)-3-(trifluoromethyl)-1H-pyrazole.

Molecular Properties

Compound Name5-(1-phenylpropan-2-yl)-3-(trifluoromethyl)-1H-pyrazole
PubChem CID154716508
Molecular FormulaC13H13F3N2
Molecular Weight254.26 g/mol
Exact Mass254.10
IUPAC Name5-(1-phenylpropan-2-yl)-3-(trifluoromethyl)-1H-pyrazole
SMILESCC(Cc1ccccc1)c1cc(C(F)(F)F)n[nH]1
InChIInChI=1S/C13H13F3N2/c1-9(7-10-5-3-2-4-6-10)11-8-12(18-17-11)13(14,15)16/h2-6,8-9H,7H2,1H3,(H,17,18)
InChIKeyPHVJDHFQSSEKNK-UHFFFAOYSA-N
XLogP3.77
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5-(1-phenylpropan-2-yl)-3-(trifluoromethyl)-1H-pyrazole 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

3-Methyl-5-phenyl-1H-pyrazole
CID 18774
1H-Pyrazole, 3,5-diphenyl-
CID 70840
5-Amino-3-methyl-4-phenylpyrazole
CID 599501
3-Amino-5-phenylpyrazole
CID 136655
3-phenyl-1H-pyrazole
CID 17155
3-Methyl-4-phenylpyrazol
CID 139601
4-phenyl-3-(trifluoromethyl)-1H-pyrazole
CID 2740124
3-methyl-1H-indazole
CID 820804
5-Amino-3-(4-methylphenyl)pyrazole
CID 736768
4-bromo-3-methyl-5-phenyl-1H-pyrazole
CID 744335
5-Phenyl-3-(p-tolyl)-1H-pyrazole
CID 11506914
3-(4-chlorophenyl)-5-(1,1,2,2-tetrafluoroethyl)-1H-pyrazole
CID 800359

Frequently Asked Questions

What is the IUPAC name of 5-(1-phenylpropan-2-yl)-3-(trifluoromethyl)-1H-pyrazole?
The IUPAC name of 5-(1-phenylpropan-2-yl)-3-(trifluoromethyl)-1H-pyrazole (CID 154716508) is 5-(1-phenylpropan-2-yl)-3-(trifluoromethyl)-1H-pyrazole.
What is the SMILES notation for 5-(1-phenylpropan-2-yl)-3-(trifluoromethyl)-1H-pyrazole?
The canonical SMILES for 5-(1-phenylpropan-2-yl)-3-(trifluoromethyl)-1H-pyrazole is CC(Cc1ccccc1)c1cc(C(F)(F)F)n[nH]1.
What is the InChIKey of 5-(1-phenylpropan-2-yl)-3-(trifluoromethyl)-1H-pyrazole?
The InChIKey is PHVJDHFQSSEKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2/c1-9(7-10-5-3-2-4-6-10)11-8-12(18-17-11)13(14,15)16/h2-6,8-9H,7H2,1H3,(H,17,18).
What are the key properties of 5-(1-phenylpropan-2-yl)-3-(trifluoromethyl)-1H-pyrazole?
5-(1-phenylpropan-2-yl)-3-(trifluoromethyl)-1H-pyrazole has a molecular weight of 254.26 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-phenylpropan-2-yl)-3-(trifluoromethyl)-1H-pyrazole is sourced from PubChem (CID 154716508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).