1-(4-chloro-1-methylpyrazol-5-yl)-1-(4-methoxyphenyl)ethanol

C13H15ClN2O2 — CID 114633513

IUPAC1-(4-chloro-1-methylpyrazol-5-yl)-1-(4-methoxyphenyl)ethanol
SMILESCOc1ccc(C(C)(O)c2c(Cl)cnn2C)cc1
InChIInChI=1S/C13H15ClN2O2/c1-13(17,12-11(14)8-15-16(12)2)9-4-6-10(18-3)7-5-9/h4-8,17H,1-3H3
InChIKeyWDBZDSREVXAMAE-UHFFFAOYSA-N
MW266.73 g/mol
LogP2.34
Rot. Bonds3

About 1-(4-chloro-1-methylpyrazol-5-yl)-1-(4-methoxyphenyl)ethanol

1-(4-chloro-1-methylpyrazol-5-yl)-1-(4-methoxyphenyl)ethanol (PubChem CID 114633513) has the molecular formula C13H15ClN2O2 and a molecular weight of 266.73 g/mol. Its IUPAC name is 1-(4-chloro-1-methylpyrazol-5-yl)-1-(4-methoxyphenyl)ethanol.

Molecular Properties

Compound Name1-(4-chloro-1-methylpyrazol-5-yl)-1-(4-methoxyphenyl)ethanol
PubChem CID114633513
Molecular FormulaC13H15ClN2O2
Molecular Weight266.73 g/mol
Exact Mass266.08
IUPAC Name1-(4-chloro-1-methylpyrazol-5-yl)-1-(4-methoxyphenyl)ethanol
SMILESCOc1ccc(C(C)(O)c2c(Cl)cnn2C)cc1
InChIInChI=1S/C13H15ClN2O2/c1-13(17,12-11(14)8-15-16(12)2)9-4-6-10(18-3)7-5-9/h4-8,17H,1-3H3
InChIKeyWDBZDSREVXAMAE-UHFFFAOYSA-N
XLogP2.34
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-1-methylpyrazol-5-yl)-1-(4-methoxyphenyl)propan-2-ol
CID 114633954
1-(6-chloro-3-pyridinyl)-1-(4-methoxyphenyl)ethanol
CID 175567565
4-[1-hydroxy-1-(4-methoxy-1-methylpyrazol-5-yl)ethyl]benzonitrile
CID 114637601
1-(2-chlorophenyl)-1-(4-methoxyphenyl)ethanol
CID 60794949
1-(4-bromophenyl)-1-(4-chloro-1-propylpyrazol-5-yl)ethanol
CID 114633467
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-(3,4-dimethylphenyl)ethanol
CID 114633788
1-(4-chloro-1-ethylpyrazol-5-yl)-1-(4-iodophenyl)ethanol
CID 114083179
1-[4-[[4-[1-hydroxy-1-(4-methoxyphenyl)ethyl]phenyl]-dimethyl-λ4-sulfanyl]phenyl]-1-(4-methoxyphenyl)ethanol
CID 170080996
1-(tert-butylamino)-2-(4-chloro-1-methylpyrazol-5-yl)propan-2-ol
CID 114666103
(4-chloro-1-methylpyrazol-5-yl)-(6-methoxynaphthalen-2-yl)methanol
CID 114634999
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-(3-chlorophenyl)ethanol
CID 114633436
2-(4-chloro-1-methylpyrazol-5-yl)-1-(ethylamino)propan-2-ol
CID 114666046

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-methylpyrazol-5-yl)-1-(4-methoxyphenyl)ethanol?
The IUPAC name of 1-(4-chloro-1-methylpyrazol-5-yl)-1-(4-methoxyphenyl)ethanol (CID 114633513) is 1-(4-chloro-1-methylpyrazol-5-yl)-1-(4-methoxyphenyl)ethanol.
What is the SMILES notation for 1-(4-chloro-1-methylpyrazol-5-yl)-1-(4-methoxyphenyl)ethanol?
The canonical SMILES for 1-(4-chloro-1-methylpyrazol-5-yl)-1-(4-methoxyphenyl)ethanol is COc1ccc(C(C)(O)c2c(Cl)cnn2C)cc1.
What is the InChIKey of 1-(4-chloro-1-methylpyrazol-5-yl)-1-(4-methoxyphenyl)ethanol?
The InChIKey is WDBZDSREVXAMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2/c1-13(17,12-11(14)8-15-16(12)2)9-4-6-10(18-3)7-5-9/h4-8,17H,1-3H3.
What are the key properties of 1-(4-chloro-1-methylpyrazol-5-yl)-1-(4-methoxyphenyl)ethanol?
1-(4-chloro-1-methylpyrazol-5-yl)-1-(4-methoxyphenyl)ethanol has a molecular weight of 266.73 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-methylpyrazol-5-yl)-1-(4-methoxyphenyl)ethanol is sourced from PubChem (CID 114633513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).