4-(3-amino-5-methylpyrazol-1-yl)benzonitrile

C11H10N4 — CID 46705137

IUPAC4-(3-amino-5-methylpyrazol-1-yl)benzonitrile
SMILESCc1cc(N)nn1-c1ccc(C#N)cc1
InChIInChI=1S/C11H10N4/c1-8-6-11(13)14-15(8)10-4-2-9(7-12)3-5-10/h2-6H,1H3,(H2,13,14)
InChIKeyYHDCDACYONZVPS-UHFFFAOYSA-N
MW198.23 g/mol
LogP1.63
Rot. Bonds1

About 4-(3-amino-5-methylpyrazol-1-yl)benzonitrile

4-(3-amino-5-methylpyrazol-1-yl)benzonitrile (PubChem CID 46705137) has the molecular formula C11H10N4 and a molecular weight of 198.23 g/mol. Its IUPAC name is 4-(3-amino-5-methylpyrazol-1-yl)benzonitrile.

Molecular Properties

Compound Name4-(3-amino-5-methylpyrazol-1-yl)benzonitrile
PubChem CID46705137
Molecular FormulaC11H10N4
Molecular Weight198.23 g/mol
Exact Mass198.09
IUPAC Name4-(3-amino-5-methylpyrazol-1-yl)benzonitrile
SMILESCc1cc(N)nn1-c1ccc(C#N)cc1
InChIInChI=1S/C11H10N4/c1-8-6-11(13)14-15(8)10-4-2-9(7-12)3-5-10/h2-6H,1H3,(H2,13,14)
InChIKeyYHDCDACYONZVPS-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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-5-methylpyrazol-1-yl)benzonitrile?
The IUPAC name of 4-(3-amino-5-methylpyrazol-1-yl)benzonitrile (CID 46705137) is 4-(3-amino-5-methylpyrazol-1-yl)benzonitrile.
What is the SMILES notation for 4-(3-amino-5-methylpyrazol-1-yl)benzonitrile?
The canonical SMILES for 4-(3-amino-5-methylpyrazol-1-yl)benzonitrile is Cc1cc(N)nn1-c1ccc(C#N)cc1.
What is the InChIKey of 4-(3-amino-5-methylpyrazol-1-yl)benzonitrile?
The InChIKey is YHDCDACYONZVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4/c1-8-6-11(13)14-15(8)10-4-2-9(7-12)3-5-10/h2-6H,1H3,(H2,13,14).
What are the key properties of 4-(3-amino-5-methylpyrazol-1-yl)benzonitrile?
4-(3-amino-5-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 4-(3-amino-5-methylpyrazol-1-yl)benzonitrile is sourced from PubChem (CID 46705137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).