3-amino-4-(4-methylpyrazol-1-yl)benzonitrile

C11H10N4 — CID 60874595

IUPAC3-amino-4-(4-methylpyrazol-1-yl)benzonitrile
SMILESCc1cnn(-c2ccc(C#N)cc2N)c1
InChIInChI=1S/C11H10N4/c1-8-6-14-15(7-8)11-3-2-9(5-12)4-10(11)13/h2-4,6-7H,13H2,1H3
InChIKeyIVVXVIMPHRZMOX-UHFFFAOYSA-N
MW198.23 g/mol
LogP1.63
Rot. Bonds1

About 3-amino-4-(4-methylpyrazol-1-yl)benzonitrile

3-amino-4-(4-methylpyrazol-1-yl)benzonitrile (PubChem CID 60874595) has the molecular formula C11H10N4 and a molecular weight of 198.23 g/mol. Its IUPAC name is 3-amino-4-(4-methylpyrazol-1-yl)benzonitrile.

Molecular Properties

Compound Name3-amino-4-(4-methylpyrazol-1-yl)benzonitrile
PubChem CID60874595
Molecular FormulaC11H10N4
Molecular Weight198.23 g/mol
Exact Mass198.09
IUPAC Name3-amino-4-(4-methylpyrazol-1-yl)benzonitrile
SMILESCc1cnn(-c2ccc(C#N)cc2N)c1
InChIInChI=1S/C11H10N4/c1-8-6-14-15(7-8)11-3-2-9(5-12)4-10(11)13/h2-4,6-7H,13H2,1H3
InChIKeyIVVXVIMPHRZMOX-UHFFFAOYSA-N
XLogP1.63
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 51.63
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 3-amino-4-(4-methylpyrazol-1-yl)benzonitrile?
The IUPAC name of 3-amino-4-(4-methylpyrazol-1-yl)benzonitrile (CID 60874595) is 3-amino-4-(4-methylpyrazol-1-yl)benzonitrile.
What is the SMILES notation for 3-amino-4-(4-methylpyrazol-1-yl)benzonitrile?
The canonical SMILES for 3-amino-4-(4-methylpyrazol-1-yl)benzonitrile is Cc1cnn(-c2ccc(C#N)cc2N)c1.
What is the InChIKey of 3-amino-4-(4-methylpyrazol-1-yl)benzonitrile?
The InChIKey is IVVXVIMPHRZMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4/c1-8-6-14-15(7-8)11-3-2-9(5-12)4-10(11)13/h2-4,6-7H,13H2,1H3.
What are the key properties of 3-amino-4-(4-methylpyrazol-1-yl)benzonitrile?
3-amino-4-(4-methylpyrazol-1-yl)benzonitrile has a molecular weight of 198.23 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(4-methylpyrazol-1-yl)benzonitrile is sourced from PubChem (CID 60874595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).