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

C11H10N4 — CID 118392824

IUPAC2-(5-amino-1-phenylpyrazol-3-yl)acetonitrile
SMILESN#CCc1cc(N)n(-c2ccccc2)n1
InChIInChI=1S/C11H10N4/c12-7-6-9-8-11(13)15(14-9)10-4-2-1-3-5-10/h1-5,8H,6,13H2
InChIKeyQXHPPVDCMRDKQB-UHFFFAOYSA-N
MW198.23 g/mol
LogP1.52
Rot. Bonds2

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

2-(5-amino-1-phenylpyrazol-3-yl)acetonitrile (PubChem CID 118392824) has the molecular formula C11H10N4 and a molecular weight of 198.23 g/mol. Its IUPAC name is 2-(5-amino-1-phenylpyrazol-3-yl)acetonitrile.

Molecular Properties

Compound Name2-(5-amino-1-phenylpyrazol-3-yl)acetonitrile
PubChem CID118392824
Molecular FormulaC11H10N4
Molecular Weight198.23 g/mol
Exact Mass198.09
IUPAC Name2-(5-amino-1-phenylpyrazol-3-yl)acetonitrile
SMILESN#CCc1cc(N)n(-c2ccccc2)n1
InChIInChI=1S/C11H10N4/c12-7-6-9-8-11(13)15(14-9)10-4-2-1-3-5-10/h1-5,8H,6,13H2
InChIKeyQXHPPVDCMRDKQB-UHFFFAOYSA-N
XLogP1.52
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-1-phenylpyrazol-3-yl)acetonitrile?
The IUPAC name of 2-(5-amino-1-phenylpyrazol-3-yl)acetonitrile (CID 118392824) is 2-(5-amino-1-phenylpyrazol-3-yl)acetonitrile.
What is the SMILES notation for 2-(5-amino-1-phenylpyrazol-3-yl)acetonitrile?
The canonical SMILES for 2-(5-amino-1-phenylpyrazol-3-yl)acetonitrile is N#CCc1cc(N)n(-c2ccccc2)n1.
What is the InChIKey of 2-(5-amino-1-phenylpyrazol-3-yl)acetonitrile?
The InChIKey is QXHPPVDCMRDKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4/c12-7-6-9-8-11(13)15(14-9)10-4-2-1-3-5-10/h1-5,8H,6,13H2.
What are the key properties of 2-(5-amino-1-phenylpyrazol-3-yl)acetonitrile?
2-(5-amino-1-phenylpyrazol-3-yl)acetonitrile has a molecular weight of 198.23 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-1-phenylpyrazol-3-yl)acetonitrile is sourced from PubChem (CID 118392824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).