2-chloro-6-[4-methyl-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-yl]phenol

C17H14ClF3N2O — CID 162350913

IUPAC2-chloro-6-[4-methyl-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-yl]phenol
SMILESCC1CN(c2ccc(C(F)(F)F)cc2)N=C1c1cccc(Cl)c1O
InChIInChI=1S/C17H14ClF3N2O/c1-10-9-23(12-7-5-11(6-8-12)17(19,20)21)22-15(10)13-3-2-4-14(18)16(13)24/h2-8,10,24H,9H2,1H3
InChIKeyATWFQQDYQVQRSH-UHFFFAOYSA-N
MW354.76 g/mol
LogP4.92
Rot. Bonds2

About 2-chloro-6-[4-methyl-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-yl]phenol

2-chloro-6-[4-methyl-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-yl]phenol (PubChem CID 162350913) has the molecular formula C17H14ClF3N2O and a molecular weight of 354.76 g/mol. Its IUPAC name is 2-chloro-6-[4-methyl-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-yl]phenol.

Molecular Properties

Compound Name2-chloro-6-[4-methyl-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-yl]phenol
PubChem CID162350913
Molecular FormulaC17H14ClF3N2O
Molecular Weight354.76 g/mol
Exact Mass354.07
IUPAC Name2-chloro-6-[4-methyl-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-yl]phenol
SMILESCC1CN(c2ccc(C(F)(F)F)cc2)N=C1c1cccc(Cl)c1O
InChIInChI=1S/C17H14ClF3N2O/c1-10-9-23(12-7-5-11(6-8-12)17(19,20)21)22-15(10)13-3-2-4-14(18)16(13)24/h2-8,10,24H,9H2,1H3
InChIKeyATWFQQDYQVQRSH-UHFFFAOYSA-N
XLogP4.92
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.76
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}

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Related Compounds

4-[4-methyl-5-(trifluoromethyl)-3,4-dihydropyrazol-2-yl]phenol
CID 141404881
2-methyl-1-[5-methyl-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-4-yl]propan-1-ol
CID 142923056
5-(4-chlorophenyl)-4-methyl-N-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-2-carboxamide
CID 18980998
2,6-dimethyl-4-[4-(trifluoromethyl)phenyl]morpholine
CID 171714626
(4R)-4-tert-butyl-1-[4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole
CID 102402293
1-chloro-5-[4-(trifluoromethyl)phenyl]-6,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxaline-8-carboxylic acid
CID 172543367
1-methyl-3-[4-(trifluoromethyl)phenyl]-1,2-dihydrobenzo[e]indole
CID 163282297
2-chloro-6-[4-(trifluoromethyl)phenyl]benzamide
CID 134626188
1,2-dichloro-3-[2-methyl-4-(trifluoromethyl)phenyl]benzene
CID 118815271
N-[2-[5-(2-chlorophenyl)-3-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-methoxyethyl)-4-(trifluoromethyl)benzamide
CID 83274131
[3-[1-(3-chlorophenyl)imidazol-4-yl]-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-(3-hydroxyazetidin-1-yl)methanone
CID 175265929
1-[(1R,2R)-2-methylcyclopropyl]-4-(trifluoromethyl)benzene
CID 11063442

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[4-methyl-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-yl]phenol?
The IUPAC name of 2-chloro-6-[4-methyl-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-yl]phenol (CID 162350913) is 2-chloro-6-[4-methyl-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-yl]phenol.
What is the SMILES notation for 2-chloro-6-[4-methyl-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-yl]phenol?
The canonical SMILES for 2-chloro-6-[4-methyl-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-yl]phenol is CC1CN(c2ccc(C(F)(F)F)cc2)N=C1c1cccc(Cl)c1O.
What is the InChIKey of 2-chloro-6-[4-methyl-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-yl]phenol?
The InChIKey is ATWFQQDYQVQRSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF3N2O/c1-10-9-23(12-7-5-11(6-8-12)17(19,20)21)22-15(10)13-3-2-4-14(18)16(13)24/h2-8,10,24H,9H2,1H3.
What are the key properties of 2-chloro-6-[4-methyl-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-yl]phenol?
2-chloro-6-[4-methyl-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-yl]phenol has a molecular weight of 354.76 g/mol, XLogP of 4.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[4-methyl-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-yl]phenol is sourced from PubChem (CID 162350913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).