1-(2-chloro-4-ethoxyphenyl)pyrazole

C11H11ClN2O — CID 91589970

IUPAC1-(2-chloro-4-ethoxyphenyl)pyrazole
SMILESCCOc1ccc(-n2cccn2)c(Cl)c1
InChIInChI=1S/C11H11ClN2O/c1-2-15-9-4-5-11(10(12)8-9)14-7-3-6-13-14/h3-8H,2H2,1H3
InChIKeyFYTNSCURFMFFTG-UHFFFAOYSA-N
MW222.68 g/mol
LogP2.92
Rot. Bonds3

About 1-(2-chloro-4-ethoxyphenyl)pyrazole

1-(2-chloro-4-ethoxyphenyl)pyrazole (PubChem CID 91589970) has the molecular formula C11H11ClN2O and a molecular weight of 222.68 g/mol. Its IUPAC name is 1-(2-chloro-4-ethoxyphenyl)pyrazole.

Molecular Properties

Compound Name1-(2-chloro-4-ethoxyphenyl)pyrazole
PubChem CID91589970
Molecular FormulaC11H11ClN2O
Molecular Weight222.68 g/mol
Exact Mass222.06
IUPAC Name1-(2-chloro-4-ethoxyphenyl)pyrazole
SMILESCCOc1ccc(-n2cccn2)c(Cl)c1
InChIInChI=1S/C11H11ClN2O/c1-2-15-9-4-5-11(10(12)8-9)14-7-3-6-13-14/h3-8H,2H2,1H3
InChIKeyFYTNSCURFMFFTG-UHFFFAOYSA-N
XLogP2.92
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.68
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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diethyl 2-(5-chloro-2-pyrazol-1-ylphenyl)propanedioate
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N-[(3-chloro-4-pyrazol-1-ylphenyl)methyl]-2-methoxyethanamine
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2-chloro-4-ethoxy-1-ethylbenzene
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3-(3-chloro-4-pyrazol-1-ylphenyl)-2-methylpropanoic acid
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CID 26702605
2-amino-N-(3-chloro-4-pyrazol-1-ylphenyl)-3-methylpentanamide
CID 119771640
3-(3-chloro-4-pyrazol-1-ylphenyl)-1-methylpyrazol-5-amine
CID 117437053
4-(3-chloro-4-pyrazol-1-ylphenyl)-1-methylpyrazol-5-amine
CID 117437063
2-amino-N-(3-chloro-4-pyrazol-1-ylphenyl)pentanamide;hydrochloride
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2-ethoxy-6-pyrazol-1-ylbenzoic acid
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1-(3-chloro-4-ethylphenyl)pyrazole
CID 70883363

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-ethoxyphenyl)pyrazole?
The IUPAC name of 1-(2-chloro-4-ethoxyphenyl)pyrazole (CID 91589970) is 1-(2-chloro-4-ethoxyphenyl)pyrazole.
What is the SMILES notation for 1-(2-chloro-4-ethoxyphenyl)pyrazole?
The canonical SMILES for 1-(2-chloro-4-ethoxyphenyl)pyrazole is CCOc1ccc(-n2cccn2)c(Cl)c1.
What is the InChIKey of 1-(2-chloro-4-ethoxyphenyl)pyrazole?
The InChIKey is FYTNSCURFMFFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O/c1-2-15-9-4-5-11(10(12)8-9)14-7-3-6-13-14/h3-8H,2H2,1H3.
What are the key properties of 1-(2-chloro-4-ethoxyphenyl)pyrazole?
1-(2-chloro-4-ethoxyphenyl)pyrazole has a molecular weight of 222.68 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-ethoxyphenyl)pyrazole is sourced from PubChem (CID 91589970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).