2-[5-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]ethanol

C13H12ClF3N2O — CID 115068627

IUPAC2-[5-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]ethanol
SMILESOCCc1cnn(Cc2ccc(C(F)(F)F)cc2)c1Cl
InChIInChI=1S/C13H12ClF3N2O/c14-12-10(5-6-20)7-18-19(12)8-9-1-3-11(4-2-9)13(15,16)17/h1-4,7,20H,5-6,8H2
InChIKeyMIXDYYBMZCYUAE-UHFFFAOYSA-N
MW304.70 g/mol
LogP3.14
Rot. Bonds4

About 2-[5-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]ethanol

2-[5-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]ethanol (PubChem CID 115068627) has the molecular formula C13H12ClF3N2O and a molecular weight of 304.70 g/mol. Its IUPAC name is 2-[5-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[5-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]ethanol
PubChem CID115068627
Molecular FormulaC13H12ClF3N2O
Molecular Weight304.70 g/mol
Exact Mass304.06
IUPAC Name2-[5-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]ethanol
SMILESOCCc1cnn(Cc2ccc(C(F)(F)F)cc2)c1Cl
InChIInChI=1S/C13H12ClF3N2O/c14-12-10(5-6-20)7-18-19(12)8-9-1-3-11(4-2-9)13(15,16)17/h1-4,7,20H,5-6,8H2
InChIKeyMIXDYYBMZCYUAE-UHFFFAOYSA-N
XLogP3.14
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.70
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[5-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]propan-1-amine
CID 115068648
2-[1-[(2-bromophenyl)methyl]-5-chloropyrazol-4-yl]ethanol
CID 115068582
2-[5-methoxy-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]ethanamine
CID 115069321
5-iodo-2-[[4-(trifluoromethyl)phenyl]methyl]pyridazin-3-one
CID 114553349
3-[5-chloro-1-[(4-methylphenyl)methyl]pyrazol-4-yl]propan-1-amine
CID 115068649
4-methoxy-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-5-carboxylic acid
CID 117232726
1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-6-amine
CID 169223341
5-(methylamino)-2-[[4-(trifluoromethyl)phenyl]methyl]pyridazin-3-one
CID 103218535
5-chloro-1-[(4-fluorophenyl)methyl]pyrazol-4-ol
CID 117232697
methyl 7-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]indazole-4-carboxylate
CID 162609625
[5-chloro-1-[(3-methylphenyl)methyl]pyrazol-4-yl]methanol
CID 115068523
[1-[(3-bromophenyl)methyl]-5-chloropyrazol-4-yl]methanol
CID 115068526

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]ethanol?
The IUPAC name of 2-[5-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]ethanol (CID 115068627) is 2-[5-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]ethanol.
What is the SMILES notation for 2-[5-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]ethanol?
The canonical SMILES for 2-[5-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]ethanol is OCCc1cnn(Cc2ccc(C(F)(F)F)cc2)c1Cl.
What is the InChIKey of 2-[5-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]ethanol?
The InChIKey is MIXDYYBMZCYUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClF3N2O/c14-12-10(5-6-20)7-18-19(12)8-9-1-3-11(4-2-9)13(15,16)17/h1-4,7,20H,5-6,8H2.
What are the key properties of 2-[5-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]ethanol?
2-[5-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]ethanol has a molecular weight of 304.70 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]ethanol is sourced from PubChem (CID 115068627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).