(Z)-3-(1-benzyl-3-phenylpyrazol-4-yl)-2-pyridin-2-ylprop-2-enenitrile

C24H18N4 — CID 92519587

IUPAC(Z)-3-(1-benzyl-3-phenylpyrazol-4-yl)-2-pyridin-2-ylprop-2-enenitrile
SMILESN#C/C(=C\c1cn(Cc2ccccc2)nc1-c1ccccc1)c1ccccn1
InChIInChI=1S/C24H18N4/c25-16-21(23-13-7-8-14-26-23)15-22-18-28(17-19-9-3-1-4-10-19)27-24(22)20-11-5-2-6-12-20/h1-15,18H,17H2/b21-15+
InChIKeyFRWJXRFZKXHKDY-RCCKNPSSSA-N
MW362.44 g/mol
LogP5.06
Rot. Bonds5

About (Z)-3-(1-benzyl-3-phenylpyrazol-4-yl)-2-pyridin-2-ylprop-2-enenitrile

(Z)-3-(1-benzyl-3-phenylpyrazol-4-yl)-2-pyridin-2-ylprop-2-enenitrile (PubChem CID 92519587) has the molecular formula C24H18N4 and a molecular weight of 362.44 g/mol. Its IUPAC name is (Z)-3-(1-benzyl-3-phenylpyrazol-4-yl)-2-pyridin-2-ylprop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-(1-benzyl-3-phenylpyrazol-4-yl)-2-pyridin-2-ylprop-2-enenitrile
PubChem CID92519587
Molecular FormulaC24H18N4
Molecular Weight362.44 g/mol
Exact Mass362.15
IUPAC Name(Z)-3-(1-benzyl-3-phenylpyrazol-4-yl)-2-pyridin-2-ylprop-2-enenitrile
SMILESN#C/C(=C\c1cn(Cc2ccccc2)nc1-c1ccccc1)c1ccccn1
InChIInChI=1S/C24H18N4/c25-16-21(23-13-7-8-14-26-23)15-22-18-28(17-19-9-3-1-4-10-19)27-24(22)20-11-5-2-6-12-20/h1-15,18H,17H2/b21-15+
InChIKeyFRWJXRFZKXHKDY-RCCKNPSSSA-N
XLogP5.06
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.44
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-(1-benzyl-3-phenylpyrazol-4-yl)-2-pyridin-2-ylprop-2-enenitrile?
The IUPAC name of (Z)-3-(1-benzyl-3-phenylpyrazol-4-yl)-2-pyridin-2-ylprop-2-enenitrile (CID 92519587) is (Z)-3-(1-benzyl-3-phenylpyrazol-4-yl)-2-pyridin-2-ylprop-2-enenitrile.
What is the SMILES notation for (Z)-3-(1-benzyl-3-phenylpyrazol-4-yl)-2-pyridin-2-ylprop-2-enenitrile?
The canonical SMILES for (Z)-3-(1-benzyl-3-phenylpyrazol-4-yl)-2-pyridin-2-ylprop-2-enenitrile is N#C/C(=C\c1cn(Cc2ccccc2)nc1-c1ccccc1)c1ccccn1.
What is the InChIKey of (Z)-3-(1-benzyl-3-phenylpyrazol-4-yl)-2-pyridin-2-ylprop-2-enenitrile?
The InChIKey is FRWJXRFZKXHKDY-RCCKNPSSSA-N. The full InChI is InChI=1S/C24H18N4/c25-16-21(23-13-7-8-14-26-23)15-22-18-28(17-19-9-3-1-4-10-19)27-24(22)20-11-5-2-6-12-20/h1-15,18H,17H2/b21-15+.
What are the key properties of (Z)-3-(1-benzyl-3-phenylpyrazol-4-yl)-2-pyridin-2-ylprop-2-enenitrile?
(Z)-3-(1-benzyl-3-phenylpyrazol-4-yl)-2-pyridin-2-ylprop-2-enenitrile has a molecular weight of 362.44 g/mol, XLogP of 5.06, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(1-benzyl-3-phenylpyrazol-4-yl)-2-pyridin-2-ylprop-2-enenitrile is sourced from PubChem (CID 92519587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).