2-[4-(4-aminophenyl)pyrazol-1-yl]acetonitrile

C11H10N4 — CID 63328480

IUPAC2-[4-(4-aminophenyl)pyrazol-1-yl]acetonitrile
SMILESN#CCn1cc(-c2ccc(N)cc2)cn1
InChIInChI=1S/C11H10N4/c12-5-6-15-8-10(7-14-15)9-1-3-11(13)4-2-9/h1-4,7-8H,6,13H2
InChIKeyIMUITCVTHQGRCS-UHFFFAOYSA-N
MW198.23 g/mol
LogP1.66
Rot. Bonds2

About 2-[4-(4-aminophenyl)pyrazol-1-yl]acetonitrile

2-[4-(4-aminophenyl)pyrazol-1-yl]acetonitrile (PubChem CID 63328480) has the molecular formula C11H10N4 and a molecular weight of 198.23 g/mol. Its IUPAC name is 2-[4-(4-aminophenyl)pyrazol-1-yl]acetonitrile.

Molecular Properties

Compound Name2-[4-(4-aminophenyl)pyrazol-1-yl]acetonitrile
PubChem CID63328480
Molecular FormulaC11H10N4
Molecular Weight198.23 g/mol
Exact Mass198.09
IUPAC Name2-[4-(4-aminophenyl)pyrazol-1-yl]acetonitrile
SMILESN#CCn1cc(-c2ccc(N)cc2)cn1
InChIInChI=1S/C11H10N4/c12-5-6-15-8-10(7-14-15)9-1-3-11(13)4-2-9/h1-4,7-8H,6,13H2
InChIKeyIMUITCVTHQGRCS-UHFFFAOYSA-N
XLogP1.66
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 ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-aminophenyl)pyrazol-1-yl]acetonitrile?
The IUPAC name of 2-[4-(4-aminophenyl)pyrazol-1-yl]acetonitrile (CID 63328480) is 2-[4-(4-aminophenyl)pyrazol-1-yl]acetonitrile.
What is the SMILES notation for 2-[4-(4-aminophenyl)pyrazol-1-yl]acetonitrile?
The canonical SMILES for 2-[4-(4-aminophenyl)pyrazol-1-yl]acetonitrile is N#CCn1cc(-c2ccc(N)cc2)cn1.
What is the InChIKey of 2-[4-(4-aminophenyl)pyrazol-1-yl]acetonitrile?
The InChIKey is IMUITCVTHQGRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4/c12-5-6-15-8-10(7-14-15)9-1-3-11(13)4-2-9/h1-4,7-8H,6,13H2.
What are the key properties of 2-[4-(4-aminophenyl)pyrazol-1-yl]acetonitrile?
2-[4-(4-aminophenyl)pyrazol-1-yl]acetonitrile has a molecular weight of 198.23 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-aminophenyl)pyrazol-1-yl]acetonitrile is sourced from PubChem (CID 63328480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).