2-(3-phenyl-1H-pyrazol-5-yl)acetonitrile

C11H9N3 — CID 902140

IUPAC2-(3-phenyl-1H-pyrazol-5-yl)acetonitrile
SMILESN#CCc1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C11H9N3/c12-7-6-10-8-11(14-13-10)9-4-2-1-3-5-9/h1-5,8H,6H2,(H,13,14)
InChIKeyVOISDZHTKJQPAM-UHFFFAOYSA-N
MW183.21 g/mol
LogP2.14
Rot. Bonds2

About 2-(3-phenyl-1H-pyrazol-5-yl)acetonitrile

2-(3-phenyl-1H-pyrazol-5-yl)acetonitrile (PubChem CID 902140) has the molecular formula C11H9N3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-(3-phenyl-1H-pyrazol-5-yl)acetonitrile.

Molecular Properties

Compound Name2-(3-phenyl-1H-pyrazol-5-yl)acetonitrile
PubChem CID902140
Molecular FormulaC11H9N3
Molecular Weight183.21 g/mol
Exact Mass183.08
IUPAC Name2-(3-phenyl-1H-pyrazol-5-yl)acetonitrile
SMILESN#CCc1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C11H9N3/c12-7-6-10-8-11(14-13-10)9-4-2-1-3-5-9/h1-5,8H,6H2,(H,13,14)
InChIKeyVOISDZHTKJQPAM-UHFFFAOYSA-N
XLogP2.14
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-phenyl-1H-pyrazol-5-yl)acetonitrile?
The IUPAC name of 2-(3-phenyl-1H-pyrazol-5-yl)acetonitrile (CID 902140) is 2-(3-phenyl-1H-pyrazol-5-yl)acetonitrile.
What is the SMILES notation for 2-(3-phenyl-1H-pyrazol-5-yl)acetonitrile?
The canonical SMILES for 2-(3-phenyl-1H-pyrazol-5-yl)acetonitrile is N#CCc1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of 2-(3-phenyl-1H-pyrazol-5-yl)acetonitrile?
The InChIKey is VOISDZHTKJQPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3/c12-7-6-10-8-11(14-13-10)9-4-2-1-3-5-9/h1-5,8H,6H2,(H,13,14).
What are the key properties of 2-(3-phenyl-1H-pyrazol-5-yl)acetonitrile?
2-(3-phenyl-1H-pyrazol-5-yl)acetonitrile has a molecular weight of 183.21 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenyl-1H-pyrazol-5-yl)acetonitrile is sourced from PubChem (CID 902140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).