2-(3,4-dibenzoylpyrazol-1-yl)benzonitrile

C24H15N3O2 — CID 175705343

IUPAC2-(3,4-dibenzoylpyrazol-1-yl)benzonitrile
SMILESN#Cc1ccccc1-n1cc(C(=O)c2ccccc2)c(C(=O)c2ccccc2)n1
InChIInChI=1S/C24H15N3O2/c25-15-19-13-7-8-14-21(19)27-16-20(23(28)17-9-3-1-4-10-17)22(26-27)24(29)18-11-5-2-6-12-18/h1-14,16H
InChIKeyPJSISRCLJPUSOS-UHFFFAOYSA-N
MW377.40 g/mol
LogP4.21
Rot. Bonds5

About 2-(3,4-dibenzoylpyrazol-1-yl)benzonitrile

2-(3,4-dibenzoylpyrazol-1-yl)benzonitrile (PubChem CID 175705343) has the molecular formula C24H15N3O2 and a molecular weight of 377.40 g/mol. Its IUPAC name is 2-(3,4-dibenzoylpyrazol-1-yl)benzonitrile.

Molecular Properties

Compound Name2-(3,4-dibenzoylpyrazol-1-yl)benzonitrile
PubChem CID175705343
Molecular FormulaC24H15N3O2
Molecular Weight377.40 g/mol
Exact Mass377.12
IUPAC Name2-(3,4-dibenzoylpyrazol-1-yl)benzonitrile
SMILESN#Cc1ccccc1-n1cc(C(=O)c2ccccc2)c(C(=O)c2ccccc2)n1
InChIInChI=1S/C24H15N3O2/c25-15-19-13-7-8-14-21(19)27-16-20(23(28)17-9-3-1-4-10-17)22(26-27)24(29)18-11-5-2-6-12-18/h1-14,16H
InChIKeyPJSISRCLJPUSOS-UHFFFAOYSA-N
XLogP4.21
TPSA75.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dibenzoylpyrazol-1-yl)benzonitrile?
The IUPAC name of 2-(3,4-dibenzoylpyrazol-1-yl)benzonitrile (CID 175705343) is 2-(3,4-dibenzoylpyrazol-1-yl)benzonitrile.
What is the SMILES notation for 2-(3,4-dibenzoylpyrazol-1-yl)benzonitrile?
The canonical SMILES for 2-(3,4-dibenzoylpyrazol-1-yl)benzonitrile is N#Cc1ccccc1-n1cc(C(=O)c2ccccc2)c(C(=O)c2ccccc2)n1.
What is the InChIKey of 2-(3,4-dibenzoylpyrazol-1-yl)benzonitrile?
The InChIKey is PJSISRCLJPUSOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15N3O2/c25-15-19-13-7-8-14-21(19)27-16-20(23(28)17-9-3-1-4-10-17)22(26-27)24(29)18-11-5-2-6-12-18/h1-14,16H.
What are the key properties of 2-(3,4-dibenzoylpyrazol-1-yl)benzonitrile?
2-(3,4-dibenzoylpyrazol-1-yl)benzonitrile has a molecular weight of 377.40 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dibenzoylpyrazol-1-yl)benzonitrile is sourced from PubChem (CID 175705343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).