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

C14H16Cl2N2O3 — CID 105132612

IUPAC1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(3-chlorophenoxy)ethanol
SMILESCOCCn1ncc(Cl)c1C(O)COc1cccc(Cl)c1
InChIInChI=1S/C14H16Cl2N2O3/c1-20-6-5-18-14(12(16)8-17-18)13(19)9-21-11-4-2-3-10(15)7-11/h2-4,7-8,13,19H,5-6,9H2,1H3
InChIKeyQBRYJFSDSFVVIH-UHFFFAOYSA-N
MW331.20 g/mol
LogP2.95
Rot. Bonds7

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

1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(3-chlorophenoxy)ethanol (PubChem CID 105132612) has the molecular formula C14H16Cl2N2O3 and a molecular weight of 331.20 g/mol. Its IUPAC name is 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(3-chlorophenoxy)ethanol.

Molecular Properties

Compound Name1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(3-chlorophenoxy)ethanol
PubChem CID105132612
Molecular FormulaC14H16Cl2N2O3
Molecular Weight331.20 g/mol
Exact Mass330.05
IUPAC Name1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(3-chlorophenoxy)ethanol
SMILESCOCCn1ncc(Cl)c1C(O)COc1cccc(Cl)c1
InChIInChI=1S/C14H16Cl2N2O3/c1-20-6-5-18-14(12(16)8-17-18)13(19)9-21-11-4-2-3-10(15)7-11/h2-4,7-8,13,19H,5-6,9H2,1H3
InChIKeyQBRYJFSDSFVVIH-UHFFFAOYSA-N
XLogP2.95
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.20
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(3-methylphenyl)ethanol
CID 114643232
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(3-fluorophenyl)ethanol
CID 114643059
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-cyclopropylethanol
CID 114644981
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(6-chloro-3-pyridinyl)methanol
CID 114644952
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(3,4-dimethylphenyl)ethanol
CID 114643482
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-3-methoxybutan-1-ol
CID 114645459
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-3-(2-methoxyethoxy)propan-1-ol
CID 102927629
2-(3-chlorophenoxy)-1-(2-ethylpyrazol-3-yl)ethanol
CID 105098116
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(2-ethoxyphenyl)methanol
CID 114634109
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(3-chlorophenyl)sulfanylethanamine
CID 114656257
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-3-methylpentan-1-ol
CID 115839361
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-4-methoxypentan-1-ol
CID 105132601

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(3-chlorophenoxy)ethanol?
The IUPAC name of 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(3-chlorophenoxy)ethanol (CID 105132612) is 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(3-chlorophenoxy)ethanol.
What is the SMILES notation for 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(3-chlorophenoxy)ethanol?
The canonical SMILES for 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(3-chlorophenoxy)ethanol is COCCn1ncc(Cl)c1C(O)COc1cccc(Cl)c1.
What is the InChIKey of 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(3-chlorophenoxy)ethanol?
The InChIKey is QBRYJFSDSFVVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2O3/c1-20-6-5-18-14(12(16)8-17-18)13(19)9-21-11-4-2-3-10(15)7-11/h2-4,7-8,13,19H,5-6,9H2,1H3.
What are the key properties of 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(3-chlorophenoxy)ethanol?
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(3-chlorophenoxy)ethanol has a molecular weight of 331.20 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(3-chlorophenoxy)ethanol is sourced from PubChem (CID 105132612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).