3-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]-4H-pyrazole

C17H13F3N2 — CID 142976195

IUPAC3-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]-4H-pyrazole
SMILESCc1ccccc1C1=NN=C(c2ccccc2C(F)(F)F)C1
InChIInChI=1S/C17H13F3N2/c1-11-6-2-3-7-12(11)15-10-16(22-21-15)13-8-4-5-9-14(13)17(18,19)20/h2-9H,10H2,1H3
InChIKeyQCVJJCPWBCZANT-UHFFFAOYSA-N
MW302.30 g/mol
LogP4.61
Rot. Bonds2

About 3-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]-4H-pyrazole

3-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]-4H-pyrazole (PubChem CID 142976195) has the molecular formula C17H13F3N2 and a molecular weight of 302.30 g/mol. Its IUPAC name is 3-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]-4H-pyrazole.

Molecular Properties

Compound Name3-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]-4H-pyrazole
PubChem CID142976195
Molecular FormulaC17H13F3N2
Molecular Weight302.30 g/mol
Exact Mass302.10
IUPAC Name3-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]-4H-pyrazole
SMILESCc1ccccc1C1=NN=C(c2ccccc2C(F)(F)F)C1
InChIInChI=1S/C17H13F3N2/c1-11-6-2-3-7-12(11)15-10-16(22-21-15)13-8-4-5-9-14(13)17(18,19)20/h2-9H,10H2,1H3
InChIKeyQCVJJCPWBCZANT-UHFFFAOYSA-N
XLogP4.61
TPSA24.72 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 ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]-4H-pyrazole?
The IUPAC name of 3-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]-4H-pyrazole (CID 142976195) is 3-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]-4H-pyrazole.
What is the SMILES notation for 3-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]-4H-pyrazole?
The canonical SMILES for 3-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]-4H-pyrazole is Cc1ccccc1C1=NN=C(c2ccccc2C(F)(F)F)C1.
What is the InChIKey of 3-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]-4H-pyrazole?
The InChIKey is QCVJJCPWBCZANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2/c1-11-6-2-3-7-12(11)15-10-16(22-21-15)13-8-4-5-9-14(13)17(18,19)20/h2-9H,10H2,1H3.
What are the key properties of 3-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]-4H-pyrazole?
3-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]-4H-pyrazole has a molecular weight of 302.30 g/mol, XLogP of 4.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]-4H-pyrazole is sourced from PubChem (CID 142976195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).