5-amino-3-[(Z)-1-cyano-2-(2-methoxyphenyl)ethenyl]-1-phenylpyrazole-4-carbonitrile

C20H15N5O — CID 5287070

IUPAC5-amino-3-[(Z)-1-cyano-2-(2-methoxyphenyl)ethenyl]-1-phenylpyrazole-4-carbonitrile
SMILESCOc1ccccc1/C=C(\C#N)c1nn(-c2ccccc2)c(N)c1C#N
InChIInChI=1S/C20H15N5O/c1-26-18-10-6-5-7-14(18)11-15(12-21)19-17(13-22)20(23)25(24-19)16-8-3-2-4-9-16/h2-11H,23H2,1H3/b15-11+
InChIKeyOQQDVXQZWCVIJH-RVDMUPIBSA-N
MW341.37 g/mol
LogP3.40
Rot. Bonds4

About 5-amino-3-[(Z)-1-cyano-2-(2-methoxyphenyl)ethenyl]-1-phenylpyrazole-4-carbonitrile

5-amino-3-[(Z)-1-cyano-2-(2-methoxyphenyl)ethenyl]-1-phenylpyrazole-4-carbonitrile (PubChem CID 5287070) has the molecular formula C20H15N5O and a molecular weight of 341.37 g/mol. Its IUPAC name is 5-amino-3-[(Z)-1-cyano-2-(2-methoxyphenyl)ethenyl]-1-phenylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-3-[(Z)-1-cyano-2-(2-methoxyphenyl)ethenyl]-1-phenylpyrazole-4-carbonitrile
PubChem CID5287070
Molecular FormulaC20H15N5O
Molecular Weight341.37 g/mol
Exact Mass341.13
IUPAC Name5-amino-3-[(Z)-1-cyano-2-(2-methoxyphenyl)ethenyl]-1-phenylpyrazole-4-carbonitrile
SMILESCOc1ccccc1/C=C(\C#N)c1nn(-c2ccccc2)c(N)c1C#N
InChIInChI=1S/C20H15N5O/c1-26-18-10-6-5-7-14(18)11-15(12-21)19-17(13-22)20(23)25(24-19)16-8-3-2-4-9-16/h2-11H,23H2,1H3/b15-11+
InChIKeyOQQDVXQZWCVIJH-RVDMUPIBSA-N
XLogP3.40
TPSA100.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Related Compounds

4-(4-methoxyphenyl)-3-methyl-1-phenyl-1H-pyrazol-5-amine
CID 970459
1-(2-methoxyphenyl)-3-methyl-4-phenyl-1H-pyrazol-5-amine
CID 1506037
5-amino-1-(4-methoxyphenyl)-1H-pyrazole-4-carbonitrile
CID 2763873
1-(4-Methoxyphenyl)-3-phenyl-1H-pyrazol-5-ylamine
CID 4121554
1-(4-methoxyphenyl)-3-methyl-1H-pyrazol-5-amine
CID 5155686
1-(4-Methoxyphenyl)-3-(4-methylphenyl)-1H-pyrazole-5-amine
CID 4584616
1-(4-Methoxyphenyl)-4-phenyl-1H-1,2,3-triazol-5-amine
CID 14612169
3-(3-methoxyphenyl)-1-(4-methylphenyl)-1H-pyrazol-5-amine
CID 16228238
5-Amino-1-[6-(4-methoxyphenyl)pyridazin-3-yl]pyrazole-4-carbonitrile
CID 82192590
3-(3,5-Dimethylpyrazol-1-yl)-6-(2-methoxyphenyl)pyridazine
CID 127038925
3-(3,5-Dimethylpyrazol-1-yl)-6-(4-methoxyphenyl)pyridazine
CID 127038926
5-Amino-1-[6-(2-methoxyphenyl)pyridazin-3-yl]pyrazole-4-carbonitrile
CID 127038927

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[(Z)-1-cyano-2-(2-methoxyphenyl)ethenyl]-1-phenylpyrazole-4-carbonitrile?
The IUPAC name of 5-amino-3-[(Z)-1-cyano-2-(2-methoxyphenyl)ethenyl]-1-phenylpyrazole-4-carbonitrile (CID 5287070) is 5-amino-3-[(Z)-1-cyano-2-(2-methoxyphenyl)ethenyl]-1-phenylpyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-3-[(Z)-1-cyano-2-(2-methoxyphenyl)ethenyl]-1-phenylpyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-3-[(Z)-1-cyano-2-(2-methoxyphenyl)ethenyl]-1-phenylpyrazole-4-carbonitrile is COc1ccccc1/C=C(\C#N)c1nn(-c2ccccc2)c(N)c1C#N.
What is the InChIKey of 5-amino-3-[(Z)-1-cyano-2-(2-methoxyphenyl)ethenyl]-1-phenylpyrazole-4-carbonitrile?
The InChIKey is OQQDVXQZWCVIJH-RVDMUPIBSA-N. The full InChI is InChI=1S/C20H15N5O/c1-26-18-10-6-5-7-14(18)11-15(12-21)19-17(13-22)20(23)25(24-19)16-8-3-2-4-9-16/h2-11H,23H2,1H3/b15-11+.
What are the key properties of 5-amino-3-[(Z)-1-cyano-2-(2-methoxyphenyl)ethenyl]-1-phenylpyrazole-4-carbonitrile?
5-amino-3-[(Z)-1-cyano-2-(2-methoxyphenyl)ethenyl]-1-phenylpyrazole-4-carbonitrile has a molecular weight of 341.37 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-[(Z)-1-cyano-2-(2-methoxyphenyl)ethenyl]-1-phenylpyrazole-4-carbonitrile is sourced from PubChem (CID 5287070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).