2-(1-benzyl-5-phenylpyrazol-3-yl)acetonitrile

C18H15N3 — CID 67324306

IUPAC2-(1-benzyl-5-phenylpyrazol-3-yl)acetonitrile
SMILESN#CCc1cc(-c2ccccc2)n(Cc2ccccc2)n1
InChIInChI=1S/C18H15N3/c19-12-11-17-13-18(16-9-5-2-6-10-16)21(20-17)14-15-7-3-1-4-8-15/h1-10,13H,11,14H2
InChIKeyWWCCGFDYYMYCPX-UHFFFAOYSA-N
MW273.34 g/mol
LogP3.66
Rot. Bonds4

About 2-(1-benzyl-5-phenylpyrazol-3-yl)acetonitrile

2-(1-benzyl-5-phenylpyrazol-3-yl)acetonitrile (PubChem CID 67324306) has the molecular formula C18H15N3 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-(1-benzyl-5-phenylpyrazol-3-yl)acetonitrile.

Molecular Properties

Compound Name2-(1-benzyl-5-phenylpyrazol-3-yl)acetonitrile
PubChem CID67324306
Molecular FormulaC18H15N3
Molecular Weight273.34 g/mol
Exact Mass273.13
IUPAC Name2-(1-benzyl-5-phenylpyrazol-3-yl)acetonitrile
SMILESN#CCc1cc(-c2ccccc2)n(Cc2ccccc2)n1
InChIInChI=1S/C18H15N3/c19-12-11-17-13-18(16-9-5-2-6-10-16)21(20-17)14-15-7-3-1-4-8-15/h1-10,13H,11,14H2
InChIKeyWWCCGFDYYMYCPX-UHFFFAOYSA-N
XLogP3.66
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyl-5-phenylpyrazol-3-yl)acetonitrile?
The IUPAC name of 2-(1-benzyl-5-phenylpyrazol-3-yl)acetonitrile (CID 67324306) is 2-(1-benzyl-5-phenylpyrazol-3-yl)acetonitrile.
What is the SMILES notation for 2-(1-benzyl-5-phenylpyrazol-3-yl)acetonitrile?
The canonical SMILES for 2-(1-benzyl-5-phenylpyrazol-3-yl)acetonitrile is N#CCc1cc(-c2ccccc2)n(Cc2ccccc2)n1.
What is the InChIKey of 2-(1-benzyl-5-phenylpyrazol-3-yl)acetonitrile?
The InChIKey is WWCCGFDYYMYCPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3/c19-12-11-17-13-18(16-9-5-2-6-10-16)21(20-17)14-15-7-3-1-4-8-15/h1-10,13H,11,14H2.
What are the key properties of 2-(1-benzyl-5-phenylpyrazol-3-yl)acetonitrile?
2-(1-benzyl-5-phenylpyrazol-3-yl)acetonitrile has a molecular weight of 273.34 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyl-5-phenylpyrazol-3-yl)acetonitrile is sourced from PubChem (CID 67324306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).