3-(3,5-diphenylpyrazol-1-yl)propanenitrile

C18H15N3 — CID 2055003

IUPAC3-(3,5-diphenylpyrazol-1-yl)propanenitrile
SMILESN#CCCn1nc(-c2ccccc2)cc1-c1ccccc1
InChIInChI=1S/C18H15N3/c19-12-7-13-21-18(16-10-5-2-6-11-16)14-17(20-21)15-8-3-1-4-9-15/h1-6,8-11,14H,7,13H2
InChIKeyKULOODIJOAAIIG-UHFFFAOYSA-N
MW273.34 g/mol
LogP4.13
Rot. Bonds4

About 3-(3,5-diphenylpyrazol-1-yl)propanenitrile

3-(3,5-diphenylpyrazol-1-yl)propanenitrile (PubChem CID 2055003) has the molecular formula C18H15N3 and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-(3,5-diphenylpyrazol-1-yl)propanenitrile.

Molecular Properties

Compound Name3-(3,5-diphenylpyrazol-1-yl)propanenitrile
PubChem CID2055003
Molecular FormulaC18H15N3
Molecular Weight273.34 g/mol
Exact Mass273.13
IUPAC Name3-(3,5-diphenylpyrazol-1-yl)propanenitrile
SMILESN#CCCn1nc(-c2ccccc2)cc1-c1ccccc1
InChIInChI=1S/C18H15N3/c19-12-7-13-21-18(16-10-5-2-6-11-16)14-17(20-21)15-8-3-1-4-9-15/h1-6,8-11,14H,7,13H2
InChIKeyKULOODIJOAAIIG-UHFFFAOYSA-N
XLogP4.13
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 ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-diphenylpyrazol-1-yl)propanenitrile?
The IUPAC name of 3-(3,5-diphenylpyrazol-1-yl)propanenitrile (CID 2055003) is 3-(3,5-diphenylpyrazol-1-yl)propanenitrile.
What is the SMILES notation for 3-(3,5-diphenylpyrazol-1-yl)propanenitrile?
The canonical SMILES for 3-(3,5-diphenylpyrazol-1-yl)propanenitrile is N#CCCn1nc(-c2ccccc2)cc1-c1ccccc1.
What is the InChIKey of 3-(3,5-diphenylpyrazol-1-yl)propanenitrile?
The InChIKey is KULOODIJOAAIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3/c19-12-7-13-21-18(16-10-5-2-6-11-16)14-17(20-21)15-8-3-1-4-9-15/h1-6,8-11,14H,7,13H2.
What are the key properties of 3-(3,5-diphenylpyrazol-1-yl)propanenitrile?
3-(3,5-diphenylpyrazol-1-yl)propanenitrile has a molecular weight of 273.34 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-diphenylpyrazol-1-yl)propanenitrile is sourced from PubChem (CID 2055003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).