1-methyl-4-phenyl-3-[4-(trifluoromethyl)phenyl]pyrazole

C17H13F3N2 — CID 135072525

IUPAC1-methyl-4-phenyl-3-[4-(trifluoromethyl)phenyl]pyrazole
SMILESCn1cc(-c2ccccc2)c(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C17H13F3N2/c1-22-11-15(12-5-3-2-4-6-12)16(21-22)13-7-9-14(10-8-13)17(18,19)20/h2-11H,1H3
InChIKeyJBOVUPAVJUABID-UHFFFAOYSA-N
MW302.30 g/mol
LogP4.77
Rot. Bonds2

About 1-methyl-4-phenyl-3-[4-(trifluoromethyl)phenyl]pyrazole

1-methyl-4-phenyl-3-[4-(trifluoromethyl)phenyl]pyrazole (PubChem CID 135072525) has the molecular formula C17H13F3N2 and a molecular weight of 302.30 g/mol. Its IUPAC name is 1-methyl-4-phenyl-3-[4-(trifluoromethyl)phenyl]pyrazole.

Molecular Properties

Compound Name1-methyl-4-phenyl-3-[4-(trifluoromethyl)phenyl]pyrazole
PubChem CID135072525
Molecular FormulaC17H13F3N2
Molecular Weight302.30 g/mol
Exact Mass302.10
IUPAC Name1-methyl-4-phenyl-3-[4-(trifluoromethyl)phenyl]pyrazole
SMILESCn1cc(-c2ccccc2)c(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C17H13F3N2/c1-22-11-15(12-5-3-2-4-6-12)16(21-22)13-7-9-14(10-8-13)17(18,19)20/h2-11H,1H3
InChIKeyJBOVUPAVJUABID-UHFFFAOYSA-N
XLogP4.77
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Difenzoquat
CID 39425
1-Benzyl-4-(3-methyl-4-phenyl-pyrazol-1-yl)-piperidine
CID 21219157
4-(4-Methylphenyl)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]triazole
CID 152221091
4-(2-Fluorophenyl)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]triazole
CID 152346369
1-Methyl-3-phenyl-1H-pyrazole
CID 137946
Fezolamine
CID 54567
3-Methyl-5-[(1-methyl-3-phenylpyrazol-5-yl)methyl]pyridine
CID 137631806
3-Cyclopropyl-1-[(4-methylphenyl)methyl]pyrazole
CID 3659088
3-(4-methylphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde oxime
CID 6894324
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
1-Benzyl-4-(5-methyl-4-phenyl-pyrazol-1-yl)-piperidine
CID 9949442

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-phenyl-3-[4-(trifluoromethyl)phenyl]pyrazole?
The IUPAC name of 1-methyl-4-phenyl-3-[4-(trifluoromethyl)phenyl]pyrazole (CID 135072525) is 1-methyl-4-phenyl-3-[4-(trifluoromethyl)phenyl]pyrazole.
What is the SMILES notation for 1-methyl-4-phenyl-3-[4-(trifluoromethyl)phenyl]pyrazole?
The canonical SMILES for 1-methyl-4-phenyl-3-[4-(trifluoromethyl)phenyl]pyrazole is Cn1cc(-c2ccccc2)c(-c2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of 1-methyl-4-phenyl-3-[4-(trifluoromethyl)phenyl]pyrazole?
The InChIKey is JBOVUPAVJUABID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2/c1-22-11-15(12-5-3-2-4-6-12)16(21-22)13-7-9-14(10-8-13)17(18,19)20/h2-11H,1H3.
What are the key properties of 1-methyl-4-phenyl-3-[4-(trifluoromethyl)phenyl]pyrazole?
1-methyl-4-phenyl-3-[4-(trifluoromethyl)phenyl]pyrazole has a molecular weight of 302.30 g/mol, XLogP of 4.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-phenyl-3-[4-(trifluoromethyl)phenyl]pyrazole is sourced from PubChem (CID 135072525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).