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

C11H11F3N2O — CID 141404881

IUPAC4-[4-methyl-5-(trifluoromethyl)-3,4-dihydropyrazol-2-yl]phenol
SMILESCC1CN(c2ccc(O)cc2)N=C1C(F)(F)F
InChIInChI=1S/C11H11F3N2O/c1-7-6-16(15-10(7)11(12,13)14)8-2-4-9(17)5-3-8/h2-5,7,17H,6H2,1H3
InChIKeyBKXGGQVOUWXBGC-UHFFFAOYSA-N
MW244.22 g/mol
LogP2.77
Rot. Bonds1

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

4-[4-methyl-5-(trifluoromethyl)-3,4-dihydropyrazol-2-yl]phenol (PubChem CID 141404881) has the molecular formula C11H11F3N2O and a molecular weight of 244.22 g/mol. Its IUPAC name is 4-[4-methyl-5-(trifluoromethyl)-3,4-dihydropyrazol-2-yl]phenol.

Molecular Properties

Compound Name4-[4-methyl-5-(trifluoromethyl)-3,4-dihydropyrazol-2-yl]phenol
PubChem CID141404881
Molecular FormulaC11H11F3N2O
Molecular Weight244.22 g/mol
Exact Mass244.08
IUPAC Name4-[4-methyl-5-(trifluoromethyl)-3,4-dihydropyrazol-2-yl]phenol
SMILESCC1CN(c2ccc(O)cc2)N=C1C(F)(F)F
InChIInChI=1S/C11H11F3N2O/c1-7-6-16(15-10(7)11(12,13)14)8-2-4-9(17)5-3-8/h2-5,7,17H,6H2,1H3
InChIKeyBKXGGQVOUWXBGC-UHFFFAOYSA-N
XLogP2.77
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[4-methyl-5-(trifluoromethyl)-3,4-dihydropyrazol-2-yl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-6-[4-methyl-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-yl]phenol
CID 162350913
2-methyl-1-[5-methyl-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-4-yl]propan-1-ol
CID 142923056
1-methyl-3-[2-phenyl-5-(trifluoromethyl)-3,4-dihydropyrazol-4-yl]azepan-2-one
CID 67571563
1-[3,5-bis(trifluoromethyl)phenyl]-7-chloro-5-(4-hydroxyphenyl)-3-methyl-3,4-dihydro-1,5-benzodiazepin-2-one
CID 11519154
4-[(3R)-4-(4-hydroxyphenyl)-3-methylpiperazin-1-yl]-2-(trifluoromethyl)benzonitrile
CID 168992767
1-[2,5-bis(trifluoromethyl)phenyl]-7-chloro-5-(4-hydroxyphenyl)-3-methyl-3,4-dihydro-1,5-benzodiazepin-2-one
CID 11540836
4-[5-(trifluoromethyl)tetrazol-1-yl]phenol
CID 21197249
1,6-bis(4-hydroxyphenyl)-3,8-dimethyl-1,6-diazaspiro[4.4]nonane-2,7-dione
CID 19835312
4-(trifluoromethyl)(18F)phenol
CID 71660610
4-(4H-triazin-3-yl)phenol
CID 143879569
4-(1-methylazetidin-3-yl)phenol
CID 84651703
3-(4-hydroxyphenyl)-5-methyl-1,3-oxazolidin-2-one
CID 105446773

Frequently Asked Questions

What is the IUPAC name of 4-[4-methyl-5-(trifluoromethyl)-3,4-dihydropyrazol-2-yl]phenol?
The IUPAC name of 4-[4-methyl-5-(trifluoromethyl)-3,4-dihydropyrazol-2-yl]phenol (CID 141404881) is 4-[4-methyl-5-(trifluoromethyl)-3,4-dihydropyrazol-2-yl]phenol.
What is the SMILES notation for 4-[4-methyl-5-(trifluoromethyl)-3,4-dihydropyrazol-2-yl]phenol?
The canonical SMILES for 4-[4-methyl-5-(trifluoromethyl)-3,4-dihydropyrazol-2-yl]phenol is CC1CN(c2ccc(O)cc2)N=C1C(F)(F)F.
What is the InChIKey of 4-[4-methyl-5-(trifluoromethyl)-3,4-dihydropyrazol-2-yl]phenol?
The InChIKey is BKXGGQVOUWXBGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O/c1-7-6-16(15-10(7)11(12,13)14)8-2-4-9(17)5-3-8/h2-5,7,17H,6H2,1H3.
What are the key properties of 4-[4-methyl-5-(trifluoromethyl)-3,4-dihydropyrazol-2-yl]phenol?
4-[4-methyl-5-(trifluoromethyl)-3,4-dihydropyrazol-2-yl]phenol has a molecular weight of 244.22 g/mol, XLogP of 2.77, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-methyl-5-(trifluoromethyl)-3,4-dihydropyrazol-2-yl]phenol is sourced from PubChem (CID 141404881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).