1-ethyl-5-[(E)-2-naphthalen-1-ylethenyl]-3-phenylpyrazole-4-carbonitrile

C24H19N3 — CID 46887123

IUPAC1-ethyl-5-[(E)-2-naphthalen-1-ylethenyl]-3-phenylpyrazole-4-carbonitrile
SMILESCCn1nc(-c2ccccc2)c(C#N)c1/C=C/c1cccc2ccccc12
InChIInChI=1S/C24H19N3/c1-2-27-23(22(17-25)24(26-27)20-10-4-3-5-11-20)16-15-19-13-8-12-18-9-6-7-14-21(18)19/h3-16H,2H2,1H3/b16-15+
InChIKeyWZDBPGOFHUWCNP-FOCLMDBBSA-N
MW349.44 g/mol
LogP5.77
Rot. Bonds4

About 1-ethyl-5-[(E)-2-naphthalen-1-ylethenyl]-3-phenylpyrazole-4-carbonitrile

1-ethyl-5-[(E)-2-naphthalen-1-ylethenyl]-3-phenylpyrazole-4-carbonitrile (PubChem CID 46887123) has the molecular formula C24H19N3 and a molecular weight of 349.44 g/mol. Its IUPAC name is 1-ethyl-5-[(E)-2-naphthalen-1-ylethenyl]-3-phenylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name1-ethyl-5-[(E)-2-naphthalen-1-ylethenyl]-3-phenylpyrazole-4-carbonitrile
PubChem CID46887123
Molecular FormulaC24H19N3
Molecular Weight349.44 g/mol
Exact Mass349.16
IUPAC Name1-ethyl-5-[(E)-2-naphthalen-1-ylethenyl]-3-phenylpyrazole-4-carbonitrile
SMILESCCn1nc(-c2ccccc2)c(C#N)c1/C=C/c1cccc2ccccc12
InChIInChI=1S/C24H19N3/c1-2-27-23(22(17-25)24(26-27)20-10-4-3-5-11-20)16-15-19-13-8-12-18-9-6-7-14-21(18)19/h3-16H,2H2,1H3/b16-15+
InChIKeyWZDBPGOFHUWCNP-FOCLMDBBSA-N
XLogP5.77
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.44
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-[(E)-2-naphthalen-1-ylethenyl]-3-phenylpyrazole-4-carbonitrile?
The IUPAC name of 1-ethyl-5-[(E)-2-naphthalen-1-ylethenyl]-3-phenylpyrazole-4-carbonitrile (CID 46887123) is 1-ethyl-5-[(E)-2-naphthalen-1-ylethenyl]-3-phenylpyrazole-4-carbonitrile.
What is the SMILES notation for 1-ethyl-5-[(E)-2-naphthalen-1-ylethenyl]-3-phenylpyrazole-4-carbonitrile?
The canonical SMILES for 1-ethyl-5-[(E)-2-naphthalen-1-ylethenyl]-3-phenylpyrazole-4-carbonitrile is CCn1nc(-c2ccccc2)c(C#N)c1/C=C/c1cccc2ccccc12.
What is the InChIKey of 1-ethyl-5-[(E)-2-naphthalen-1-ylethenyl]-3-phenylpyrazole-4-carbonitrile?
The InChIKey is WZDBPGOFHUWCNP-FOCLMDBBSA-N. The full InChI is InChI=1S/C24H19N3/c1-2-27-23(22(17-25)24(26-27)20-10-4-3-5-11-20)16-15-19-13-8-12-18-9-6-7-14-21(18)19/h3-16H,2H2,1H3/b16-15+.
What are the key properties of 1-ethyl-5-[(E)-2-naphthalen-1-ylethenyl]-3-phenylpyrazole-4-carbonitrile?
1-ethyl-5-[(E)-2-naphthalen-1-ylethenyl]-3-phenylpyrazole-4-carbonitrile has a molecular weight of 349.44 g/mol, XLogP of 5.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-[(E)-2-naphthalen-1-ylethenyl]-3-phenylpyrazole-4-carbonitrile is sourced from PubChem (CID 46887123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).