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

C11H9F3N2 — CID 86122086

IUPAC1-methyl-4-phenyl-5-(trifluoromethyl)pyrazole
SMILESCn1ncc(-c2ccccc2)c1C(F)(F)F
InChIInChI=1S/C11H9F3N2/c1-16-10(11(12,13)14)9(7-15-16)8-5-3-2-4-6-8/h2-7H,1H3
InChIKeySGJUSXYAWVFKBQ-UHFFFAOYSA-N
MW226.20 g/mol
LogP3.11
Rot. Bonds1

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

1-methyl-4-phenyl-5-(trifluoromethyl)pyrazole (PubChem CID 86122086) has the molecular formula C11H9F3N2 and a molecular weight of 226.20 g/mol. Its IUPAC name is 1-methyl-4-phenyl-5-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-methyl-4-phenyl-5-(trifluoromethyl)pyrazole
PubChem CID86122086
Molecular FormulaC11H9F3N2
Molecular Weight226.20 g/mol
Exact Mass226.07
IUPAC Name1-methyl-4-phenyl-5-(trifluoromethyl)pyrazole
SMILESCn1ncc(-c2ccccc2)c1C(F)(F)F
InChIInChI=1S/C11H9F3N2/c1-16-10(11(12,13)14)9(7-15-16)8-5-3-2-4-6-8/h2-7H,1H3
InChIKeySGJUSXYAWVFKBQ-UHFFFAOYSA-N
XLogP3.11
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.20
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Difenzoquat
CID 39425
4-phenyl-3-(trifluoromethyl)-1H-pyrazole
CID 2740124
E-55888
CID 24825775
1-Benzyl-4-(3-methyl-4-phenyl-pyrazol-1-yl)-piperidine
CID 21219157
1-Methyl-3-phenyl-1H-pyrazole
CID 137946
(1-methyl-1H-pyrazol-5-yl)(phenyl)methanamine
CID 43817898
1-Methyl-1H-indazole
CID 139456
Fezolamine
CID 54567
1-Methyl-4-phenyl-3-(trifluoromethyl)-1H-pyrazol-5-amine
CID 2740916
3-Cyclopropyl-1-[(4-methylphenyl)methyl]pyrazole
CID 3659088
N-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-N-methyl-2-(1-methyl-1H-pyrazol-4-yl)ethanamine
CID 16190778
1-ethyl-3-methyl-4-[(3-methyl-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)methyl]-1H-pyrazole
CID 2986538

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-phenyl-5-(trifluoromethyl)pyrazole?
The IUPAC name of 1-methyl-4-phenyl-5-(trifluoromethyl)pyrazole (CID 86122086) is 1-methyl-4-phenyl-5-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-methyl-4-phenyl-5-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-methyl-4-phenyl-5-(trifluoromethyl)pyrazole is Cn1ncc(-c2ccccc2)c1C(F)(F)F.
What is the InChIKey of 1-methyl-4-phenyl-5-(trifluoromethyl)pyrazole?
The InChIKey is SGJUSXYAWVFKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2/c1-16-10(11(12,13)14)9(7-15-16)8-5-3-2-4-6-8/h2-7H,1H3.
What are the key properties of 1-methyl-4-phenyl-5-(trifluoromethyl)pyrazole?
1-methyl-4-phenyl-5-(trifluoromethyl)pyrazole has a molecular weight of 226.20 g/mol, XLogP of 3.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-phenyl-5-(trifluoromethyl)pyrazole is sourced from PubChem (CID 86122086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).