5-methyl-4-phenyl-3-(trifluoromethyl)-1H-pyrazole

C11H9F3N2 — CID 12008482

IUPAC5-methyl-4-phenyl-3-(trifluoromethyl)-1H-pyrazole
SMILESCc1[nH]nc(C(F)(F)F)c1-c1ccccc1
InChIInChI=1S/C11H9F3N2/c1-7-9(8-5-3-2-4-6-8)10(16-15-7)11(12,13)14/h2-6H,1H3,(H,15,16)
InChIKeyPYCROFQSHNEQPY-UHFFFAOYSA-N
MW226.20 g/mol
LogP3.40
Rot. Bonds1

About 5-methyl-4-phenyl-3-(trifluoromethyl)-1H-pyrazole

5-methyl-4-phenyl-3-(trifluoromethyl)-1H-pyrazole (PubChem CID 12008482) has the molecular formula C11H9F3N2 and a molecular weight of 226.20 g/mol. Its IUPAC name is 5-methyl-4-phenyl-3-(trifluoromethyl)-1H-pyrazole.

Molecular Properties

Compound Name5-methyl-4-phenyl-3-(trifluoromethyl)-1H-pyrazole
PubChem CID12008482
Molecular FormulaC11H9F3N2
Molecular Weight226.20 g/mol
Exact Mass226.07
IUPAC Name5-methyl-4-phenyl-3-(trifluoromethyl)-1H-pyrazole
SMILESCc1[nH]nc(C(F)(F)F)c1-c1ccccc1
InChIInChI=1S/C11H9F3N2/c1-7-9(8-5-3-2-4-6-8)10(16-15-7)11(12,13)14/h2-6H,1H3,(H,15,16)
InChIKeyPYCROFQSHNEQPY-UHFFFAOYSA-N
XLogP3.40
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.20
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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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
5-Phenyl-3-(p-tolyl)-1H-pyrazole
CID 11506914
5-Amino-3-(4-methylphenyl)pyrazole
CID 736768
4-Methyl-3-phenyl-1H-pyrazole
CID 283921
4-bromo-3-methyl-5-phenyl-1H-pyrazole
CID 744335
2-[4-(3-Methyl-1H-pyrazol-4-YL)phenyl]ethanamine
CID 16122634

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-phenyl-3-(trifluoromethyl)-1H-pyrazole?
The IUPAC name of 5-methyl-4-phenyl-3-(trifluoromethyl)-1H-pyrazole (CID 12008482) is 5-methyl-4-phenyl-3-(trifluoromethyl)-1H-pyrazole.
What is the SMILES notation for 5-methyl-4-phenyl-3-(trifluoromethyl)-1H-pyrazole?
The canonical SMILES for 5-methyl-4-phenyl-3-(trifluoromethyl)-1H-pyrazole is Cc1[nH]nc(C(F)(F)F)c1-c1ccccc1.
What is the InChIKey of 5-methyl-4-phenyl-3-(trifluoromethyl)-1H-pyrazole?
The InChIKey is PYCROFQSHNEQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2/c1-7-9(8-5-3-2-4-6-8)10(16-15-7)11(12,13)14/h2-6H,1H3,(H,15,16).
What are the key properties of 5-methyl-4-phenyl-3-(trifluoromethyl)-1H-pyrazole?
5-methyl-4-phenyl-3-(trifluoromethyl)-1H-pyrazole has a molecular weight of 226.20 g/mol, XLogP of 3.40, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-phenyl-3-(trifluoromethyl)-1H-pyrazole is sourced from PubChem (CID 12008482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).