5-amino-3-[(Z)-1-cyano-2-naphthalen-1-ylethenyl]-1-phenylpyrazole-4-carbonitrile

C23H15N5 — CID 5285835

IUPAC5-amino-3-[(Z)-1-cyano-2-naphthalen-1-ylethenyl]-1-phenylpyrazole-4-carbonitrile
SMILESN#C/C(=C\c1cccc2ccccc12)c1nn(-c2ccccc2)c(N)c1C#N
InChIInChI=1S/C23H15N5/c24-14-18(13-17-9-6-8-16-7-4-5-12-20(16)17)22-21(15-25)23(26)28(27-22)19-10-2-1-3-11-19/h1-13H,26H2/b18-13+
InChIKeyLLXGRTGGOUAVLP-QGOAFFKASA-N
MW361.41 g/mol
LogP4.54
Rot. Bonds3

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

5-amino-3-[(Z)-1-cyano-2-naphthalen-1-ylethenyl]-1-phenylpyrazole-4-carbonitrile (PubChem CID 5285835) has the molecular formula C23H15N5 and a molecular weight of 361.41 g/mol. Its IUPAC name is 5-amino-3-[(Z)-1-cyano-2-naphthalen-1-ylethenyl]-1-phenylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-3-[(Z)-1-cyano-2-naphthalen-1-ylethenyl]-1-phenylpyrazole-4-carbonitrile
PubChem CID5285835
Molecular FormulaC23H15N5
Molecular Weight361.41 g/mol
Exact Mass361.13
IUPAC Name5-amino-3-[(Z)-1-cyano-2-naphthalen-1-ylethenyl]-1-phenylpyrazole-4-carbonitrile
SMILESN#C/C(=C\c1cccc2ccccc12)c1nn(-c2ccccc2)c(N)c1C#N
InChIInChI=1S/C23H15N5/c24-14-18(13-17-9-6-8-16-7-4-5-12-20(16)17)22-21(15-25)23(26)28(27-22)19-10-2-1-3-11-19/h1-13H,26H2/b18-13+
InChIKeyLLXGRTGGOUAVLP-QGOAFFKASA-N
XLogP4.54
TPSA91.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-Methyl-1,4-diphenyl-1H-pyrazol-5-amine
CID 619285
5-Amino-4-cyano-1-phenyl-1H-pyrazole-3-acetonitrile
CID 81585
1,3-Diphenyl-1H-pyrazol-5-amine
CID 199969
3-(3-Methylphenyl)-1-phenyl-1H-pyrazol-5-ylamine
CID 2060622
5-amino-3-methyl-1-phenyl-1H-pyrazole-4-carbonitrile
CID 219858
5-Methyl-2-naphthalen-2-ylpyrazol-3-amine
CID 2312630
5-Amino-3-(cyanomethyl)-1-(3-methylphenyl)pyrazole-4-carbonitrile
CID 2444719
4-[(5-Amino-3-methyl-1-phenylpyrazol-4-yl)-(3-methylphenyl)methyl]-3-methyl-1-phenylpyrazol-5-amine
CID 4121801
4-[(5-Amino-3-methyl-1-phenylpyrazol-4-yl)-phenylmethyl]-3-methyl-1-phenylpyrazol-5-amine
CID 4447969
4-[(5-Amino-3-methyl-1-phenylpyrazol-4-yl)-(4-methylphenyl)methyl]-3-methyl-1-phenylpyrazol-5-amine
CID 4460292
5-Amino-1-tert-butyl-3-(1'-naphthylmethyl)-4-cyanopyrazole
CID 5050726
5-Amino-3-(1-cyano-2-p-tolyl-vinyl)-1-phenyl-1H-pyrazole-4-carbonitrile
CID 5340178

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[(Z)-1-cyano-2-naphthalen-1-ylethenyl]-1-phenylpyrazole-4-carbonitrile?
The IUPAC name of 5-amino-3-[(Z)-1-cyano-2-naphthalen-1-ylethenyl]-1-phenylpyrazole-4-carbonitrile (CID 5285835) is 5-amino-3-[(Z)-1-cyano-2-naphthalen-1-ylethenyl]-1-phenylpyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-3-[(Z)-1-cyano-2-naphthalen-1-ylethenyl]-1-phenylpyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-3-[(Z)-1-cyano-2-naphthalen-1-ylethenyl]-1-phenylpyrazole-4-carbonitrile is N#C/C(=C\c1cccc2ccccc12)c1nn(-c2ccccc2)c(N)c1C#N.
What is the InChIKey of 5-amino-3-[(Z)-1-cyano-2-naphthalen-1-ylethenyl]-1-phenylpyrazole-4-carbonitrile?
The InChIKey is LLXGRTGGOUAVLP-QGOAFFKASA-N. The full InChI is InChI=1S/C23H15N5/c24-14-18(13-17-9-6-8-16-7-4-5-12-20(16)17)22-21(15-25)23(26)28(27-22)19-10-2-1-3-11-19/h1-13H,26H2/b18-13+.
What are the key properties of 5-amino-3-[(Z)-1-cyano-2-naphthalen-1-ylethenyl]-1-phenylpyrazole-4-carbonitrile?
5-amino-3-[(Z)-1-cyano-2-naphthalen-1-ylethenyl]-1-phenylpyrazole-4-carbonitrile has a molecular weight of 361.41 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-[(Z)-1-cyano-2-naphthalen-1-ylethenyl]-1-phenylpyrazole-4-carbonitrile is sourced from PubChem (CID 5285835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).