1-(2-chlorophenyl)-5-(4-ethoxyphenyl)pyrazole-3-carbonitrile

C18H14ClN3O — CID 82220179

IUPAC1-(2-chlorophenyl)-5-(4-ethoxyphenyl)pyrazole-3-carbonitrile
SMILESCCOc1ccc(-c2cc(C#N)nn2-c2ccccc2Cl)cc1
InChIInChI=1S/C18H14ClN3O/c1-2-23-15-9-7-13(8-10-15)18-11-14(12-20)21-22(18)17-6-4-3-5-16(17)19/h3-11H,2H2,1H3
InChIKeyLAQDSSLSSHTADC-UHFFFAOYSA-N
MW323.78 g/mol
LogP4.46
Rot. Bonds4

About 1-(2-chlorophenyl)-5-(4-ethoxyphenyl)pyrazole-3-carbonitrile

1-(2-chlorophenyl)-5-(4-ethoxyphenyl)pyrazole-3-carbonitrile (PubChem CID 82220179) has the molecular formula C18H14ClN3O and a molecular weight of 323.78 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-5-(4-ethoxyphenyl)pyrazole-3-carbonitrile.

Molecular Properties

Compound Name1-(2-chlorophenyl)-5-(4-ethoxyphenyl)pyrazole-3-carbonitrile
PubChem CID82220179
Molecular FormulaC18H14ClN3O
Molecular Weight323.78 g/mol
Exact Mass323.08
IUPAC Name1-(2-chlorophenyl)-5-(4-ethoxyphenyl)pyrazole-3-carbonitrile
SMILESCCOc1ccc(-c2cc(C#N)nn2-c2ccccc2Cl)cc1
InChIInChI=1S/C18H14ClN3O/c1-2-23-15-9-7-13(8-10-15)18-11-14(12-20)21-22(18)17-6-4-3-5-16(17)19/h3-11H,2H2,1H3
InChIKeyLAQDSSLSSHTADC-UHFFFAOYSA-N
XLogP4.46
TPSA50.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.78
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1,3-benzodioxol-5-yl)-1-(2-chlorophenyl)pyrazole-3-carbonitrile
CID 82220217
1-(2-chlorophenyl)-5-(4-phenylmethoxyphenyl)-3-(trifluoromethyl)pyrazole
CID 59632580
5-(4-ethoxyphenyl)-1-(2-methylphenyl)pyrazole-3-carboxylic acid
CID 23732214
1-(4-chlorophenyl)-5-(4-methoxyphenyl)pyrazole-3-carbonitrile
CID 94962094
5-[4-(2-hydroxyethoxy)phenyl]-1-(4-methoxyphenyl)pyrazole-3-carbonitrile
CID 58806840
1,5-bis(4-chlorophenyl)pyrazole-3-carbonitrile
CID 94962068
5-(4-methylphenyl)-1-pyrimidin-2-ylpyrazole-3-carbonitrile
CID 39361106
2-amino-4-(2-chlorophenyl)-6-(4-ethoxyphenyl)pyridine-3-carbonitrile
CID 5259033
5-[4-(2-methylpropyl)phenyl]-1-phenylpyrazole-3-carbonitrile
CID 82220312
5-(4-chloro-3-methylphenyl)-1-(3-chlorophenyl)pyrazole-3-carbonitrile
CID 82220158
5-(4-ethylphenyl)-1-(3-methylphenyl)pyrazole-3-carbonitrile
CID 82220131
2-chloro-5-(4-ethoxyphenyl)pyridine-3-carbonitrile
CID 72711592

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-5-(4-ethoxyphenyl)pyrazole-3-carbonitrile?
The IUPAC name of 1-(2-chlorophenyl)-5-(4-ethoxyphenyl)pyrazole-3-carbonitrile (CID 82220179) is 1-(2-chlorophenyl)-5-(4-ethoxyphenyl)pyrazole-3-carbonitrile.
What is the SMILES notation for 1-(2-chlorophenyl)-5-(4-ethoxyphenyl)pyrazole-3-carbonitrile?
The canonical SMILES for 1-(2-chlorophenyl)-5-(4-ethoxyphenyl)pyrazole-3-carbonitrile is CCOc1ccc(-c2cc(C#N)nn2-c2ccccc2Cl)cc1.
What is the InChIKey of 1-(2-chlorophenyl)-5-(4-ethoxyphenyl)pyrazole-3-carbonitrile?
The InChIKey is LAQDSSLSSHTADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O/c1-2-23-15-9-7-13(8-10-15)18-11-14(12-20)21-22(18)17-6-4-3-5-16(17)19/h3-11H,2H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-5-(4-ethoxyphenyl)pyrazole-3-carbonitrile?
1-(2-chlorophenyl)-5-(4-ethoxyphenyl)pyrazole-3-carbonitrile has a molecular weight of 323.78 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-5-(4-ethoxyphenyl)pyrazole-3-carbonitrile is sourced from PubChem (CID 82220179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).