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

C12H12Cl2N2O — CID 109411972

IUPAC2-(4-chloro-5-methylpyrazol-1-yl)-1-(2-chlorophenyl)ethanol
SMILESCc1c(Cl)cnn1CC(O)c1ccccc1Cl
InChIInChI=1S/C12H12Cl2N2O/c1-8-11(14)6-15-16(8)7-12(17)9-4-2-3-5-10(9)13/h2-6,12,17H,7H2,1H3
InChIKeyJZPQIJWXKGDVLY-UHFFFAOYSA-N
MW271.15 g/mol
LogP3.23
Rot. Bonds3

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

2-(4-chloro-5-methylpyrazol-1-yl)-1-(2-chlorophenyl)ethanol (PubChem CID 109411972) has the molecular formula C12H12Cl2N2O and a molecular weight of 271.15 g/mol. Its IUPAC name is 2-(4-chloro-5-methylpyrazol-1-yl)-1-(2-chlorophenyl)ethanol.

Molecular Properties

Compound Name2-(4-chloro-5-methylpyrazol-1-yl)-1-(2-chlorophenyl)ethanol
PubChem CID109411972
Molecular FormulaC12H12Cl2N2O
Molecular Weight271.15 g/mol
Exact Mass270.03
IUPAC Name2-(4-chloro-5-methylpyrazol-1-yl)-1-(2-chlorophenyl)ethanol
SMILESCc1c(Cl)cnn1CC(O)c1ccccc1Cl
InChIInChI=1S/C12H12Cl2N2O/c1-8-11(14)6-15-16(8)7-12(17)9-4-2-3-5-10(9)13/h2-6,12,17H,7H2,1H3
InChIKeyJZPQIJWXKGDVLY-UHFFFAOYSA-N
XLogP3.23
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.15
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-5-methylpyrazol-1-yl)-1-(4-chlorophenyl)ethanol
CID 109411991
1-(2-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)ethanol
CID 82087522
2-(benzotriazol-1-yl)-1-(2-chlorophenyl)ethanol
CID 56837220
(1R)-2-bromo-1-(2-chlorophenyl)ethanol
CID 25324199
1-[2-(bromomethyl)-3-methylbutyl]-4-chloro-5-methylpyrazole
CID 65012337
1-(2-chlorophenyl)-2-(2-methylbenzimidazol-1-yl)ethanol
CID 47276894
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-5-methyl-1-propylpyrazole-4-carboxamide
CID 72855145
N-[(2R)-2-(2-chlorophenyl)-2-hydroxyethyl]-5-methyl-1-propylpyrazole-4-carboxamide
CID 97116423
(1R)-1-(2-chlorophenyl)-2-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanol
CID 95978859
1-(2-chlorophenyl)-2-imidazol-1-ylethanol
CID 12760607
(1R)-1-(2-chlorophenyl)-2-(triazol-1-yl)ethanol
CID 178069277
2-[(2R)-2-(2-chlorophenyl)-2-hydroxyethyl]-5,6-diphenyl-1,2,4-triazin-3-one
CID 94387276

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-5-methylpyrazol-1-yl)-1-(2-chlorophenyl)ethanol?
The IUPAC name of 2-(4-chloro-5-methylpyrazol-1-yl)-1-(2-chlorophenyl)ethanol (CID 109411972) is 2-(4-chloro-5-methylpyrazol-1-yl)-1-(2-chlorophenyl)ethanol.
What is the SMILES notation for 2-(4-chloro-5-methylpyrazol-1-yl)-1-(2-chlorophenyl)ethanol?
The canonical SMILES for 2-(4-chloro-5-methylpyrazol-1-yl)-1-(2-chlorophenyl)ethanol is Cc1c(Cl)cnn1CC(O)c1ccccc1Cl.
What is the InChIKey of 2-(4-chloro-5-methylpyrazol-1-yl)-1-(2-chlorophenyl)ethanol?
The InChIKey is JZPQIJWXKGDVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2O/c1-8-11(14)6-15-16(8)7-12(17)9-4-2-3-5-10(9)13/h2-6,12,17H,7H2,1H3.
What are the key properties of 2-(4-chloro-5-methylpyrazol-1-yl)-1-(2-chlorophenyl)ethanol?
2-(4-chloro-5-methylpyrazol-1-yl)-1-(2-chlorophenyl)ethanol has a molecular weight of 271.15 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-5-methylpyrazol-1-yl)-1-(2-chlorophenyl)ethanol is sourced from PubChem (CID 109411972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).