1-tert-butyl-3-(4-methylphenyl)-4-(trifluoromethyl)pyrazole

C15H17F3N2 — CID 14175136

IUPAC1-tert-butyl-3-(4-methylphenyl)-4-(trifluoromethyl)pyrazole
SMILESCc1ccc(-c2nn(C(C)(C)C)cc2C(F)(F)F)cc1
InChIInChI=1S/C15H17F3N2/c1-10-5-7-11(8-6-10)13-12(15(16,17)18)9-20(19-13)14(2,3)4/h5-9H,1-4H3
InChIKeyZUBYIFYZVVRUMT-UHFFFAOYSA-N
MW282.31 g/mol
LogP4.63
Rot. Bonds1

About 1-tert-butyl-3-(4-methylphenyl)-4-(trifluoromethyl)pyrazole

1-tert-butyl-3-(4-methylphenyl)-4-(trifluoromethyl)pyrazole (PubChem CID 14175136) has the molecular formula C15H17F3N2 and a molecular weight of 282.31 g/mol. Its IUPAC name is 1-tert-butyl-3-(4-methylphenyl)-4-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-tert-butyl-3-(4-methylphenyl)-4-(trifluoromethyl)pyrazole
PubChem CID14175136
Molecular FormulaC15H17F3N2
Molecular Weight282.31 g/mol
Exact Mass282.13
IUPAC Name1-tert-butyl-3-(4-methylphenyl)-4-(trifluoromethyl)pyrazole
SMILESCc1ccc(-c2nn(C(C)(C)C)cc2C(F)(F)F)cc1
InChIInChI=1S/C15H17F3N2/c1-10-5-7-11(8-6-10)13-12(15(16,17)18)9-20(19-13)14(2,3)4/h5-9H,1-4H3
InChIKeyZUBYIFYZVVRUMT-UHFFFAOYSA-N
XLogP4.63
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Benzyl-4-(3-methyl-4-phenyl-pyrazol-1-yl)-piperidine
CID 21219157
1-Methyl-3-phenyl-1H-pyrazole
CID 137946
Fezolamine
CID 54567
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
2-Methyl-2,4,5,6-tetrahydro-1,2-diaza-benzo[e]azulene
CID 44330637
4-(1,5-Dimethyl-1H-pyrazol-4-yl)benzonitrile
CID 145961259
5-(4-Fluorophenyl)-1-phenyl-1H-pyrazole
CID 2768365
3,5-dimethyl-1-(2-phenylethyl)-1H-pyrazole
CID 573288

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(4-methylphenyl)-4-(trifluoromethyl)pyrazole?
The IUPAC name of 1-tert-butyl-3-(4-methylphenyl)-4-(trifluoromethyl)pyrazole (CID 14175136) is 1-tert-butyl-3-(4-methylphenyl)-4-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-tert-butyl-3-(4-methylphenyl)-4-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-tert-butyl-3-(4-methylphenyl)-4-(trifluoromethyl)pyrazole is Cc1ccc(-c2nn(C(C)(C)C)cc2C(F)(F)F)cc1.
What is the InChIKey of 1-tert-butyl-3-(4-methylphenyl)-4-(trifluoromethyl)pyrazole?
The InChIKey is ZUBYIFYZVVRUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2/c1-10-5-7-11(8-6-10)13-12(15(16,17)18)9-20(19-13)14(2,3)4/h5-9H,1-4H3.
What are the key properties of 1-tert-butyl-3-(4-methylphenyl)-4-(trifluoromethyl)pyrazole?
1-tert-butyl-3-(4-methylphenyl)-4-(trifluoromethyl)pyrazole has a molecular weight of 282.31 g/mol, XLogP of 4.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(4-methylphenyl)-4-(trifluoromethyl)pyrazole is sourced from PubChem (CID 14175136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).