1-(4-chloro-1-methylpyrazol-5-yl)-2-(4-methylphenyl)ethanol

C13H15ClN2O — CID 114643322

IUPAC1-(4-chloro-1-methylpyrazol-5-yl)-2-(4-methylphenyl)ethanol
SMILESCc1ccc(CC(O)c2c(Cl)cnn2C)cc1
InChIInChI=1S/C13H15ClN2O/c1-9-3-5-10(6-4-9)7-12(17)13-11(14)8-15-16(13)2/h3-6,8,12,17H,7H2,1-2H3
InChIKeyJMRPPUFSTAWWCX-UHFFFAOYSA-N
MW250.73 g/mol
LogP2.66
Rot. Bonds3

About 1-(4-chloro-1-methylpyrazol-5-yl)-2-(4-methylphenyl)ethanol

1-(4-chloro-1-methylpyrazol-5-yl)-2-(4-methylphenyl)ethanol (PubChem CID 114643322) has the molecular formula C13H15ClN2O and a molecular weight of 250.73 g/mol. Its IUPAC name is 1-(4-chloro-1-methylpyrazol-5-yl)-2-(4-methylphenyl)ethanol.

Molecular Properties

Compound Name1-(4-chloro-1-methylpyrazol-5-yl)-2-(4-methylphenyl)ethanol
PubChem CID114643322
Molecular FormulaC13H15ClN2O
Molecular Weight250.73 g/mol
Exact Mass250.09
IUPAC Name1-(4-chloro-1-methylpyrazol-5-yl)-2-(4-methylphenyl)ethanol
SMILESCc1ccc(CC(O)c2c(Cl)cnn2C)cc1
InChIInChI=1S/C13H15ClN2O/c1-9-3-5-10(6-4-9)7-12(17)13-11(14)8-15-16(13)2/h3-6,8,12,17H,7H2,1-2H3
InChIKeyJMRPPUFSTAWWCX-UHFFFAOYSA-N
XLogP2.66
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-1-methylpyrazol-5-yl)-2-(3-fluorophenyl)ethanol
CID 114643064
(4-chloro-1-methylpyrazol-5-yl)-[4-(2-methylpropyl)phenyl]methanol
CID 114637035
3-amino-1-(4-chloro-1-methylpyrazol-5-yl)propan-1-ol
CID 83829412
(2-chloro-4-methylphenyl)-(4-chloro-1-methylpyrazol-5-yl)methanol
CID 106859553
1-(4-chloro-1-methylpyrazol-5-yl)-3-(2-methylphenyl)propan-1-ol
CID 105129706
1-(4-chloro-1-methylpyrazol-5-yl)decan-1-ol
CID 115836696
1-(4-chloro-1-methylpyrazol-5-yl)nonan-1-ol
CID 115836753
1-(4-chloro-1-methylpyrazol-5-yl)heptan-1-ol
CID 114635666
1-(4-chloro-1-methylpyrazol-5-yl)-2-(propan-2-ylamino)ethanol
CID 114665843
[1-(4-chloro-1-propylpyrazol-5-yl)-2-(4-methylphenyl)ethyl]hydrazine
CID 105211289
1-(4-chloro-1-methylpyrazol-5-yl)-2-cycloheptylethanol
CID 115836779
1-(4-chloro-1-propylpyrazol-5-yl)-2-(4-methylphenyl)ethanamine
CID 114649334

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-methylpyrazol-5-yl)-2-(4-methylphenyl)ethanol?
The IUPAC name of 1-(4-chloro-1-methylpyrazol-5-yl)-2-(4-methylphenyl)ethanol (CID 114643322) is 1-(4-chloro-1-methylpyrazol-5-yl)-2-(4-methylphenyl)ethanol.
What is the SMILES notation for 1-(4-chloro-1-methylpyrazol-5-yl)-2-(4-methylphenyl)ethanol?
The canonical SMILES for 1-(4-chloro-1-methylpyrazol-5-yl)-2-(4-methylphenyl)ethanol is Cc1ccc(CC(O)c2c(Cl)cnn2C)cc1.
What is the InChIKey of 1-(4-chloro-1-methylpyrazol-5-yl)-2-(4-methylphenyl)ethanol?
The InChIKey is JMRPPUFSTAWWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O/c1-9-3-5-10(6-4-9)7-12(17)13-11(14)8-15-16(13)2/h3-6,8,12,17H,7H2,1-2H3.
What are the key properties of 1-(4-chloro-1-methylpyrazol-5-yl)-2-(4-methylphenyl)ethanol?
1-(4-chloro-1-methylpyrazol-5-yl)-2-(4-methylphenyl)ethanol has a molecular weight of 250.73 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-methylpyrazol-5-yl)-2-(4-methylphenyl)ethanol is sourced from PubChem (CID 114643322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).