3-(1,5-dihydropyrazol-2-yl)benzonitrile

C10H9N3 — CID 70315458

IUPAC3-(1,5-dihydropyrazol-2-yl)benzonitrile
SMILESN#Cc1cccc(N2C=CCN2)c1
InChIInChI=1S/C10H9N3/c11-8-9-3-1-4-10(7-9)13-6-2-5-12-13/h1-4,6-7,12H,5H2
InChIKeyFSORIBIANQAOHR-UHFFFAOYSA-N
MW171.20 g/mol
LogP1.40
Rot. Bonds1

About 3-(1,5-dihydropyrazol-2-yl)benzonitrile

3-(1,5-dihydropyrazol-2-yl)benzonitrile (PubChem CID 70315458) has the molecular formula C10H9N3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 3-(1,5-dihydropyrazol-2-yl)benzonitrile.

Molecular Properties

Compound Name3-(1,5-dihydropyrazol-2-yl)benzonitrile
PubChem CID70315458
Molecular FormulaC10H9N3
Molecular Weight171.20 g/mol
Exact Mass171.08
IUPAC Name3-(1,5-dihydropyrazol-2-yl)benzonitrile
SMILESN#Cc1cccc(N2C=CCN2)c1
InChIInChI=1S/C10H9N3/c11-8-9-3-1-4-10(7-9)13-6-2-5-12-13/h1-4,6-7,12H,5H2
InChIKeyFSORIBIANQAOHR-UHFFFAOYSA-N
XLogP1.40
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1,5-dihydropyrazol-2-yl)benzonitrile?
The IUPAC name of 3-(1,5-dihydropyrazol-2-yl)benzonitrile (CID 70315458) is 3-(1,5-dihydropyrazol-2-yl)benzonitrile.
What is the SMILES notation for 3-(1,5-dihydropyrazol-2-yl)benzonitrile?
The canonical SMILES for 3-(1,5-dihydropyrazol-2-yl)benzonitrile is N#Cc1cccc(N2C=CCN2)c1.
What is the InChIKey of 3-(1,5-dihydropyrazol-2-yl)benzonitrile?
The InChIKey is FSORIBIANQAOHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3/c11-8-9-3-1-4-10(7-9)13-6-2-5-12-13/h1-4,6-7,12H,5H2.
What are the key properties of 3-(1,5-dihydropyrazol-2-yl)benzonitrile?
3-(1,5-dihydropyrazol-2-yl)benzonitrile has a molecular weight of 171.20 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,5-dihydropyrazol-2-yl)benzonitrile is sourced from PubChem (CID 70315458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).