4,5-dimethyl-2-[5-methyl-1-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]phenol

C19H17F3N2O — CID 135465510

IUPAC4,5-dimethyl-2-[5-methyl-1-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]phenol
SMILESCc1cc(O)c(-c2cc(C)n(-c3ccccc3C(F)(F)F)n2)cc1C
InChIInChI=1S/C19H17F3N2O/c1-11-8-14(18(25)9-12(11)2)16-10-13(3)24(23-16)17-7-5-4-6-15(17)19(20,21)22/h4-10,25H,1-3H3
InChIKeyISFKIFNUDJWQCL-UHFFFAOYSA-N
MW346.35 g/mol
LogP5.19
Rot. Bonds2

About 4,5-dimethyl-2-[5-methyl-1-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]phenol

4,5-dimethyl-2-[5-methyl-1-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]phenol (PubChem CID 135465510) has the molecular formula C19H17F3N2O and a molecular weight of 346.35 g/mol. Its IUPAC name is 4,5-dimethyl-2-[5-methyl-1-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]phenol.

Molecular Properties

Compound Name4,5-dimethyl-2-[5-methyl-1-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]phenol
PubChem CID135465510
Molecular FormulaC19H17F3N2O
Molecular Weight346.35 g/mol
Exact Mass346.13
IUPAC Name4,5-dimethyl-2-[5-methyl-1-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]phenol
SMILESCc1cc(O)c(-c2cc(C)n(-c3ccccc3C(F)(F)F)n2)cc1C
InChIInChI=1S/C19H17F3N2O/c1-11-8-14(18(25)9-12(11)2)16-10-13(3)24(23-16)17-7-5-4-6-15(17)19(20,21)22/h4-10,25H,1-3H3
InChIKeyISFKIFNUDJWQCL-UHFFFAOYSA-N
XLogP5.19
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.35
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-Dimethyl-1-phenylpyrazol-4-yl)phenol
CID 832558
4-[1-isopropyl-7-(trifluoromethyl)-1H-indazol-3-yl]-3-methylphenol
CID 135507439
4-[1-allyl-7-(trifluoromethyl)-1H-indazol-3-yl]-3-methylphenol
CID 135524884
4-(5-(2,5-dimethylphenyl)-1-methyl-1H-pyrazol-3-yl)phenol
CID 135546507
4-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methyl]benzenol
CID 1478286
4-Methyl-6-(2-phenyl-1,2-dihydro-3H-pyrazol-3-ylidene)cyclohexa-2,4-dien-1-one
CID 353508
2-(5-Methyl-1-phenyl-pyrazol-3-yl)phenol
CID 135465497
Estrogen receptor-agonist-1
CID 135494350
1-Phenyl-3,5-bis(4-hydroxyphenyl)-4-ethyl-1H-pyrazole
CID 135515457
4-[3-(4-Hydroxyphenyl)-1-phenylpyrazol-5-yl]phenol
CID 136099147
2-[1-Phenyl-5-(trifluoromethyl)pyrazol-3-yl]phenol
CID 4036145
4-(4-Ethyl-1,5-diphenyl-1H-pyrazol-3-yl)phenol
CID 135409791

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-[5-methyl-1-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]phenol?
The IUPAC name of 4,5-dimethyl-2-[5-methyl-1-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]phenol (CID 135465510) is 4,5-dimethyl-2-[5-methyl-1-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]phenol.
What is the SMILES notation for 4,5-dimethyl-2-[5-methyl-1-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]phenol?
The canonical SMILES for 4,5-dimethyl-2-[5-methyl-1-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]phenol is Cc1cc(O)c(-c2cc(C)n(-c3ccccc3C(F)(F)F)n2)cc1C.
What is the InChIKey of 4,5-dimethyl-2-[5-methyl-1-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]phenol?
The InChIKey is ISFKIFNUDJWQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O/c1-11-8-14(18(25)9-12(11)2)16-10-13(3)24(23-16)17-7-5-4-6-15(17)19(20,21)22/h4-10,25H,1-3H3.
What are the key properties of 4,5-dimethyl-2-[5-methyl-1-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]phenol?
4,5-dimethyl-2-[5-methyl-1-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]phenol has a molecular weight of 346.35 g/mol, XLogP of 5.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-[5-methyl-1-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]phenol is sourced from PubChem (CID 135465510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).