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

C12H12Cl2N2O — CID 109411991

IUPAC2-(4-chloro-5-methylpyrazol-1-yl)-1-(4-chlorophenyl)ethanol
SMILESCc1c(Cl)cnn1CC(O)c1ccc(Cl)cc1
InChIInChI=1S/C12H12Cl2N2O/c1-8-11(14)6-15-16(8)7-12(17)9-2-4-10(13)5-3-9/h2-6,12,17H,7H2,1H3
InChIKeyVBCBLUNZDYODHE-UHFFFAOYSA-N
MW271.15 g/mol
LogP3.23
Rot. Bonds3

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

2-(4-chloro-5-methylpyrazol-1-yl)-1-(4-chlorophenyl)ethanol (PubChem CID 109411991) 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-(4-chlorophenyl)ethanol.

Molecular Properties

Compound Name2-(4-chloro-5-methylpyrazol-1-yl)-1-(4-chlorophenyl)ethanol
PubChem CID109411991
Molecular FormulaC12H12Cl2N2O
Molecular Weight271.15 g/mol
Exact Mass270.03
IUPAC Name2-(4-chloro-5-methylpyrazol-1-yl)-1-(4-chlorophenyl)ethanol
SMILESCc1c(Cl)cnn1CC(O)c1ccc(Cl)cc1
InChIInChI=1S/C12H12Cl2N2O/c1-8-11(14)6-15-16(8)7-12(17)9-2-4-10(13)5-3-9/h2-6,12,17H,7H2,1H3
InChIKeyVBCBLUNZDYODHE-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-(2-chlorophenyl)ethanol
CID 109411972
ethyl 5-amino-1-[2-(4-chlorophenyl)-2-hydroxyethyl]pyrazole-4-carboxylate
CID 23655881
1-(4-chlorophenyl)-2-(5-pyridin-4-ylpyrazol-1-yl)ethanol
CID 109411946
1-[2-(bromomethyl)-3-methylbutyl]-4-chloro-5-methylpyrazole
CID 65012337
1-(4-chloro-5-methylpyrazol-1-yl)-3-(4-fluorophenoxy)propan-2-ol
CID 109411962
1-(4-chlorophenyl)-2-trimethylsilylethanol
CID 15709623
1-(4-chlorophenyl)-2-[4-[(1S)-1-hydroxyethyl]imidazol-1-yl]ethanol
CID 167863092
N-[1-(4-chlorophenyl)-2-hydroxyethyl]-5-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide
CID 110004266
(2S)-1-(4-chloro-5-methylpyrazol-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 97243258
1-(4-chloro-1-ethylpyrazol-5-yl)-1-(4-chlorophenyl)-N-methylmethanamine
CID 114646347
(1S)-1-(4-chlorophenyl)-2-(4-propylpiperazin-1-yl)ethanol
CID 95299218
1-[(2R)-2-(3,4-dichlorophenyl)-2-hydroxyethyl]-6-methylpyrazolo[4,5-d]pyridazin-7-one
CID 167852148

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-5-methylpyrazol-1-yl)-1-(4-chlorophenyl)ethanol?
The IUPAC name of 2-(4-chloro-5-methylpyrazol-1-yl)-1-(4-chlorophenyl)ethanol (CID 109411991) is 2-(4-chloro-5-methylpyrazol-1-yl)-1-(4-chlorophenyl)ethanol.
What is the SMILES notation for 2-(4-chloro-5-methylpyrazol-1-yl)-1-(4-chlorophenyl)ethanol?
The canonical SMILES for 2-(4-chloro-5-methylpyrazol-1-yl)-1-(4-chlorophenyl)ethanol is Cc1c(Cl)cnn1CC(O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chloro-5-methylpyrazol-1-yl)-1-(4-chlorophenyl)ethanol?
The InChIKey is VBCBLUNZDYODHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2O/c1-8-11(14)6-15-16(8)7-12(17)9-2-4-10(13)5-3-9/h2-6,12,17H,7H2,1H3.
What are the key properties of 2-(4-chloro-5-methylpyrazol-1-yl)-1-(4-chlorophenyl)ethanol?
2-(4-chloro-5-methylpyrazol-1-yl)-1-(4-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-(4-chlorophenyl)ethanol is sourced from PubChem (CID 109411991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).