1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-(3-chlorophenyl)ethanol

C14H16Cl2N2O2 — CID 114633436

IUPAC1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-(3-chlorophenyl)ethanol
SMILESCOCCn1ncc(Cl)c1C(C)(O)c1cccc(Cl)c1
InChIInChI=1S/C14H16Cl2N2O2/c1-14(19,10-4-3-5-11(15)8-10)13-12(16)9-17-18(13)6-7-20-2/h3-5,8-9,19H,6-7H2,1-2H3
InChIKeyJVZMZTAPLLXILH-UHFFFAOYSA-N
MW315.20 g/mol
LogP3.09
Rot. Bonds5

About 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-(3-chlorophenyl)ethanol

1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-(3-chlorophenyl)ethanol (PubChem CID 114633436) has the molecular formula C14H16Cl2N2O2 and a molecular weight of 315.20 g/mol. Its IUPAC name is 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-(3-chlorophenyl)ethanol.

Molecular Properties

Compound Name1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-(3-chlorophenyl)ethanol
PubChem CID114633436
Molecular FormulaC14H16Cl2N2O2
Molecular Weight315.20 g/mol
Exact Mass314.06
IUPAC Name1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-(3-chlorophenyl)ethanol
SMILESCOCCn1ncc(Cl)c1C(C)(O)c1cccc(Cl)c1
InChIInChI=1S/C14H16Cl2N2O2/c1-14(19,10-4-3-5-11(15)8-10)13-12(16)9-17-18(13)6-7-20-2/h3-5,8-9,19H,6-7H2,1-2H3
InChIKeyJVZMZTAPLLXILH-UHFFFAOYSA-N
XLogP3.09
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.20
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-(3,4-dimethylphenyl)ethanol
CID 114633788
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-(3,5-difluorophenyl)ethanol
CID 114637006
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-(2-methylphenyl)ethanol
CID 114633352
1-(4-chloro-1-propylpyrazol-5-yl)-1-(3-methylphenyl)ethanol
CID 114633383
1-(4-bromo-1-propylpyrazol-5-yl)-1-(3-chlorophenyl)ethanol
CID 114633444
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-1-(3-methoxyphenyl)ethanol
CID 114633518
1-amino-2-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-3,3-dimethylbutan-2-ol
CID 114637806
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-(1-methylcyclopropyl)ethanol
CID 114637042
1-(tert-butylamino)-2-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]propan-2-ol
CID 114666096
2-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]hex-5-en-2-ol
CID 114638272
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(3-chlorophenoxy)ethanol
CID 105132612
1-(4-chloro-1-ethylpyrazol-5-yl)-1-(3,4-dimethylphenyl)ethanol
CID 114633784

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-(3-chlorophenyl)ethanol?
The IUPAC name of 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-(3-chlorophenyl)ethanol (CID 114633436) is 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-(3-chlorophenyl)ethanol.
What is the SMILES notation for 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-(3-chlorophenyl)ethanol?
The canonical SMILES for 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-(3-chlorophenyl)ethanol is COCCn1ncc(Cl)c1C(C)(O)c1cccc(Cl)c1.
What is the InChIKey of 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-(3-chlorophenyl)ethanol?
The InChIKey is JVZMZTAPLLXILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2O2/c1-14(19,10-4-3-5-11(15)8-10)13-12(16)9-17-18(13)6-7-20-2/h3-5,8-9,19H,6-7H2,1-2H3.
What are the key properties of 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-(3-chlorophenyl)ethanol?
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-(3-chlorophenyl)ethanol has a molecular weight of 315.20 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-(3-chlorophenyl)ethanol is sourced from PubChem (CID 114633436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).