1-[1-[(2-chloro-3-methoxyphenyl)methyl]pyrazol-3-yl]ethanol

C13H15ClN2O2 — CID 126835821

IUPAC1-[1-[(2-chloro-3-methoxyphenyl)methyl]pyrazol-3-yl]ethanol
SMILESCOc1cccc(Cn2ccc(C(C)O)n2)c1Cl
InChIInChI=1S/C13H15ClN2O2/c1-9(17)11-6-7-16(15-11)8-10-4-3-5-12(18-2)13(10)14/h3-7,9,17H,8H2,1-2H3
InChIKeyOPSYHVGBFBMNDJ-UHFFFAOYSA-N
MW266.73 g/mol
LogP2.65
Rot. Bonds4

About 1-[1-[(2-chloro-3-methoxyphenyl)methyl]pyrazol-3-yl]ethanol

1-[1-[(2-chloro-3-methoxyphenyl)methyl]pyrazol-3-yl]ethanol (PubChem CID 126835821) has the molecular formula C13H15ClN2O2 and a molecular weight of 266.73 g/mol. Its IUPAC name is 1-[1-[(2-chloro-3-methoxyphenyl)methyl]pyrazol-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-[(2-chloro-3-methoxyphenyl)methyl]pyrazol-3-yl]ethanol
PubChem CID126835821
Molecular FormulaC13H15ClN2O2
Molecular Weight266.73 g/mol
Exact Mass266.08
IUPAC Name1-[1-[(2-chloro-3-methoxyphenyl)methyl]pyrazol-3-yl]ethanol
SMILESCOc1cccc(Cn2ccc(C(C)O)n2)c1Cl
InChIInChI=1S/C13H15ClN2O2/c1-9(17)11-6-7-16(15-11)8-10-4-3-5-12(18-2)13(10)14/h3-7,9,17H,8H2,1-2H3
InChIKeyOPSYHVGBFBMNDJ-UHFFFAOYSA-N
XLogP2.65
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[(2-chloro-3-methoxyphenyl)methyl]imidazol-2-yl]methanol
CID 166381140
N-[(2-chloro-3-methoxyphenyl)methyl]hydroxylamine
CID 117280945
(1S)-1-(2-chloro-3-methoxyphenyl)ethanol
CID 124638298
1-[(2-chloro-3-methoxyphenyl)methyl]pyrrolidin-3-ol;hydrochloride
CID 131703576
1-[(2-fluoro-3-methoxyphenyl)methyl]-3-(trifluoromethyl)pyrazole
CID 116621365
(1S)-1-[1-[(1-phenyl-1,2,4-triazol-3-yl)methyl]pyrazol-3-yl]ethanol
CID 99624514
N-[(2S)-1-(2-chloro-3-methoxyphenyl)propan-2-yl]formamide
CID 125472898
[1-[(2-chloro-3-methoxyphenyl)methyl]-3-propan-2-ylpiperidin-3-yl]methanol
CID 138032849
1-[1-[(2,5-dimethoxyphenyl)methyl]triazol-4-yl]ethanol
CID 81444017
(1R)-1-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethanol
CID 755584
(1R)-1-(6-chloro-5-methoxy-2-pyridinyl)ethanol
CID 129415882
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-2-methoxybenzamide
CID 19402880

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-chloro-3-methoxyphenyl)methyl]pyrazol-3-yl]ethanol?
The IUPAC name of 1-[1-[(2-chloro-3-methoxyphenyl)methyl]pyrazol-3-yl]ethanol (CID 126835821) is 1-[1-[(2-chloro-3-methoxyphenyl)methyl]pyrazol-3-yl]ethanol.
What is the SMILES notation for 1-[1-[(2-chloro-3-methoxyphenyl)methyl]pyrazol-3-yl]ethanol?
The canonical SMILES for 1-[1-[(2-chloro-3-methoxyphenyl)methyl]pyrazol-3-yl]ethanol is COc1cccc(Cn2ccc(C(C)O)n2)c1Cl.
What is the InChIKey of 1-[1-[(2-chloro-3-methoxyphenyl)methyl]pyrazol-3-yl]ethanol?
The InChIKey is OPSYHVGBFBMNDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2/c1-9(17)11-6-7-16(15-11)8-10-4-3-5-12(18-2)13(10)14/h3-7,9,17H,8H2,1-2H3.
What are the key properties of 1-[1-[(2-chloro-3-methoxyphenyl)methyl]pyrazol-3-yl]ethanol?
1-[1-[(2-chloro-3-methoxyphenyl)methyl]pyrazol-3-yl]ethanol has a molecular weight of 266.73 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-chloro-3-methoxyphenyl)methyl]pyrazol-3-yl]ethanol is sourced from PubChem (CID 126835821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).