1-(2,3-dichlorophenyl)-2-(1-methylpyrazol-4-yl)ethanol

C12H12Cl2N2O — CID 63895824

IUPAC1-(2,3-dichlorophenyl)-2-(1-methylpyrazol-4-yl)ethanol
SMILESCn1cc(CC(O)c2cccc(Cl)c2Cl)cn1
InChIInChI=1S/C12H12Cl2N2O/c1-16-7-8(6-15-16)5-11(17)9-3-2-4-10(13)12(9)14/h2-4,6-7,11,17H,5H2,1H3
InChIKeyKWEXIYLWRMPNSC-UHFFFAOYSA-N
MW271.15 g/mol
LogP3.00
Rot. Bonds3

About 1-(2,3-dichlorophenyl)-2-(1-methylpyrazol-4-yl)ethanol

1-(2,3-dichlorophenyl)-2-(1-methylpyrazol-4-yl)ethanol (PubChem CID 63895824) has the molecular formula C12H12Cl2N2O and a molecular weight of 271.15 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-2-(1-methylpyrazol-4-yl)ethanol.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-2-(1-methylpyrazol-4-yl)ethanol
PubChem CID63895824
Molecular FormulaC12H12Cl2N2O
Molecular Weight271.15 g/mol
Exact Mass270.03
IUPAC Name1-(2,3-dichlorophenyl)-2-(1-methylpyrazol-4-yl)ethanol
SMILESCn1cc(CC(O)c2cccc(Cl)c2Cl)cn1
InChIInChI=1S/C12H12Cl2N2O/c1-16-7-8(6-15-16)5-11(17)9-3-2-4-10(13)12(9)14/h2-4,6-7,11,17H,5H2,1H3
InChIKeyKWEXIYLWRMPNSC-UHFFFAOYSA-N
XLogP3.00
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 ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,3-dichlorophenyl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 115821504
1-(4-chloro-2,5-difluorophenyl)-2-(1-methylpyrazol-4-yl)ethanol
CID 115780481
(1R)-1-(2,3-dichlorophenyl)-2-pyridin-4-ylethanol
CID 129368105
1-(2-chlorophenyl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 55040623
1-(2-chlorophenyl)-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propan-1-ol
CID 62631197
1-(2,3-dichlorophenyl)-2-(3-methylphenyl)ethanol
CID 62792001
2,3-dichloro-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 28774430
1-(2,4-dibromophenyl)-2-(1-methylpyrazol-4-yl)ethanol
CID 107947322
1-(3-chlorophenoxy)-3-(1-methylpyrazol-4-yl)propan-2-ol
CID 105082685
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 111450825
1-(2-chloro-6-fluorophenyl)-3-(1-methylpyrazol-4-yl)propan-2-amine
CID 63023518
2-(1-methylpyrazol-4-yl)-1-quinolin-2-ylethanol
CID 55162724

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-2-(1-methylpyrazol-4-yl)ethanol?
The IUPAC name of 1-(2,3-dichlorophenyl)-2-(1-methylpyrazol-4-yl)ethanol (CID 63895824) is 1-(2,3-dichlorophenyl)-2-(1-methylpyrazol-4-yl)ethanol.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-2-(1-methylpyrazol-4-yl)ethanol?
The canonical SMILES for 1-(2,3-dichlorophenyl)-2-(1-methylpyrazol-4-yl)ethanol is Cn1cc(CC(O)c2cccc(Cl)c2Cl)cn1.
What is the InChIKey of 1-(2,3-dichlorophenyl)-2-(1-methylpyrazol-4-yl)ethanol?
The InChIKey is KWEXIYLWRMPNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2O/c1-16-7-8(6-15-16)5-11(17)9-3-2-4-10(13)12(9)14/h2-4,6-7,11,17H,5H2,1H3.
What are the key properties of 1-(2,3-dichlorophenyl)-2-(1-methylpyrazol-4-yl)ethanol?
1-(2,3-dichlorophenyl)-2-(1-methylpyrazol-4-yl)ethanol has a molecular weight of 271.15 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-2-(1-methylpyrazol-4-yl)ethanol is sourced from PubChem (CID 63895824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).