5-chloro-1-(4-ethoxyphenyl)-3-ethylpyrazole-4-carbonitrile

C14H14ClN3O — CID 107958515

IUPAC5-chloro-1-(4-ethoxyphenyl)-3-ethylpyrazole-4-carbonitrile
SMILESCCOc1ccc(-n2nc(CC)c(C#N)c2Cl)cc1
InChIInChI=1S/C14H14ClN3O/c1-3-13-12(9-16)14(15)18(17-13)10-5-7-11(8-6-10)19-4-2/h5-8H,3-4H2,1-2H3
InChIKeyYMUMWZZNCXZGDL-UHFFFAOYSA-N
MW275.74 g/mol
LogP3.36
Rot. Bonds4

About 5-chloro-1-(4-ethoxyphenyl)-3-ethylpyrazole-4-carbonitrile

5-chloro-1-(4-ethoxyphenyl)-3-ethylpyrazole-4-carbonitrile (PubChem CID 107958515) has the molecular formula C14H14ClN3O and a molecular weight of 275.74 g/mol. Its IUPAC name is 5-chloro-1-(4-ethoxyphenyl)-3-ethylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-chloro-1-(4-ethoxyphenyl)-3-ethylpyrazole-4-carbonitrile
PubChem CID107958515
Molecular FormulaC14H14ClN3O
Molecular Weight275.74 g/mol
Exact Mass275.08
IUPAC Name5-chloro-1-(4-ethoxyphenyl)-3-ethylpyrazole-4-carbonitrile
SMILESCCOc1ccc(-n2nc(CC)c(C#N)c2Cl)cc1
InChIInChI=1S/C14H14ClN3O/c1-3-13-12(9-16)14(15)18(17-13)10-5-7-11(8-6-10)19-4-2/h5-8H,3-4H2,1-2H3
InChIKeyYMUMWZZNCXZGDL-UHFFFAOYSA-N
XLogP3.36
TPSA50.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-3-(difluoromethyl)-1-(4-ethoxyphenyl)pyrazole-4-carbonitrile
CID 107958516
5-chloro-1-(4-cyanophenyl)-3-(methoxymethyl)pyrazole-4-carbonitrile
CID 63789495
4-(5-chloro-3-ethyl-4-methylpyrazol-1-yl)benzonitrile
CID 66021994
5-chloro-3-propyl-1-pyridin-4-ylpyrazole-4-carbonitrile
CID 63788616
5-chloro-1-(4-methoxyphenyl)-3-methylpyrazole-4-carbonitrile
CID 63787921
4-(5-chloro-3-ethyl-4-formylpyrazol-1-yl)benzonitrile
CID 43259457
5-chloro-1-(2,6-dimethylpyrimidin-4-yl)-3-ethylpyrazole-4-carbonitrile
CID 79822246
5-chloro-1-(4-ethoxyphenyl)-3-methylpyrazole-4-carbaldehyde
CID 82303923
5-chloro-3-ethyl-1-(4-methoxyphenyl)pyrazole-4-carboxylic acid
CID 55158417
5-chloro-3-ethyl-1-(2-nitrophenyl)pyrazole-4-carbonitrile
CID 63790371
5-chloro-3-ethyl-1-(7H-purin-6-yl)pyrazole-4-carbonitrile
CID 63790400
4-(chloromethyl)-1-(4-ethoxyphenyl)-5-ethylpyrazole
CID 107958672

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(4-ethoxyphenyl)-3-ethylpyrazole-4-carbonitrile?
The IUPAC name of 5-chloro-1-(4-ethoxyphenyl)-3-ethylpyrazole-4-carbonitrile (CID 107958515) is 5-chloro-1-(4-ethoxyphenyl)-3-ethylpyrazole-4-carbonitrile.
What is the SMILES notation for 5-chloro-1-(4-ethoxyphenyl)-3-ethylpyrazole-4-carbonitrile?
The canonical SMILES for 5-chloro-1-(4-ethoxyphenyl)-3-ethylpyrazole-4-carbonitrile is CCOc1ccc(-n2nc(CC)c(C#N)c2Cl)cc1.
What is the InChIKey of 5-chloro-1-(4-ethoxyphenyl)-3-ethylpyrazole-4-carbonitrile?
The InChIKey is YMUMWZZNCXZGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O/c1-3-13-12(9-16)14(15)18(17-13)10-5-7-11(8-6-10)19-4-2/h5-8H,3-4H2,1-2H3.
What are the key properties of 5-chloro-1-(4-ethoxyphenyl)-3-ethylpyrazole-4-carbonitrile?
5-chloro-1-(4-ethoxyphenyl)-3-ethylpyrazole-4-carbonitrile has a molecular weight of 275.74 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(4-ethoxyphenyl)-3-ethylpyrazole-4-carbonitrile is sourced from PubChem (CID 107958515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).