2-(3-aminopyrazol-1-yl)-4-methylbenzonitrile

C11H10N4 — CID 62308531

IUPAC2-(3-aminopyrazol-1-yl)-4-methylbenzonitrile
SMILESCc1ccc(C#N)c(-n2ccc(N)n2)c1
InChIInChI=1S/C11H10N4/c1-8-2-3-9(7-12)10(6-8)15-5-4-11(13)14-15/h2-6H,1H3,(H2,13,14)
InChIKeyMCISESADLFSCEC-UHFFFAOYSA-N
MW198.23 g/mol
LogP1.63
Rot. Bonds1

About 2-(3-aminopyrazol-1-yl)-4-methylbenzonitrile

2-(3-aminopyrazol-1-yl)-4-methylbenzonitrile (PubChem CID 62308531) has the molecular formula C11H10N4 and a molecular weight of 198.23 g/mol. Its IUPAC name is 2-(3-aminopyrazol-1-yl)-4-methylbenzonitrile.

Molecular Properties

Compound Name2-(3-aminopyrazol-1-yl)-4-methylbenzonitrile
PubChem CID62308531
Molecular FormulaC11H10N4
Molecular Weight198.23 g/mol
Exact Mass198.09
IUPAC Name2-(3-aminopyrazol-1-yl)-4-methylbenzonitrile
SMILESCc1ccc(C#N)c(-n2ccc(N)n2)c1
InChIInChI=1S/C11H10N4/c1-8-2-3-9(7-12)10(6-8)15-5-4-11(13)14-15/h2-6H,1H3,(H2,13,14)
InChIKeyMCISESADLFSCEC-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 2-(3-aminopyrazol-1-yl)-4-methylbenzonitrile?
The IUPAC name of 2-(3-aminopyrazol-1-yl)-4-methylbenzonitrile (CID 62308531) is 2-(3-aminopyrazol-1-yl)-4-methylbenzonitrile.
What is the SMILES notation for 2-(3-aminopyrazol-1-yl)-4-methylbenzonitrile?
The canonical SMILES for 2-(3-aminopyrazol-1-yl)-4-methylbenzonitrile is Cc1ccc(C#N)c(-n2ccc(N)n2)c1.
What is the InChIKey of 2-(3-aminopyrazol-1-yl)-4-methylbenzonitrile?
The InChIKey is MCISESADLFSCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4/c1-8-2-3-9(7-12)10(6-8)15-5-4-11(13)14-15/h2-6H,1H3,(H2,13,14).
What are the key properties of 2-(3-aminopyrazol-1-yl)-4-methylbenzonitrile?
2-(3-aminopyrazol-1-yl)-4-methylbenzonitrile 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 2-(3-aminopyrazol-1-yl)-4-methylbenzonitrile is sourced from PubChem (CID 62308531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).