5-(aminomethyl)-2-(4-methylpyrazol-1-yl)aniline

C11H14N4 — CID 82506416

IUPAC5-(aminomethyl)-2-(4-methylpyrazol-1-yl)aniline
SMILESCc1cnn(-c2ccc(CN)cc2N)c1
InChIInChI=1S/C11H14N4/c1-8-6-14-15(7-8)11-3-2-9(5-12)4-10(11)13/h2-4,6-7H,5,12-13H2,1H3
InChIKeyJQXJAUSOPFITJF-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.22
Rot. Bonds2

About 5-(aminomethyl)-2-(4-methylpyrazol-1-yl)aniline

5-(aminomethyl)-2-(4-methylpyrazol-1-yl)aniline (PubChem CID 82506416) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is 5-(aminomethyl)-2-(4-methylpyrazol-1-yl)aniline.

Molecular Properties

Compound Name5-(aminomethyl)-2-(4-methylpyrazol-1-yl)aniline
PubChem CID82506416
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name5-(aminomethyl)-2-(4-methylpyrazol-1-yl)aniline
SMILESCc1cnn(-c2ccc(CN)cc2N)c1
InChIInChI=1S/C11H14N4/c1-8-6-14-15(7-8)11-3-2-9(5-12)4-10(11)13/h2-4,6-7H,5,12-13H2,1H3
InChIKeyJQXJAUSOPFITJF-UHFFFAOYSA-N
XLogP1.22
TPSA69.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.22
H-Bond Donors ≤ 52
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 5-(aminomethyl)-2-(4-methylpyrazol-1-yl)aniline?
The IUPAC name of 5-(aminomethyl)-2-(4-methylpyrazol-1-yl)aniline (CID 82506416) is 5-(aminomethyl)-2-(4-methylpyrazol-1-yl)aniline.
What is the SMILES notation for 5-(aminomethyl)-2-(4-methylpyrazol-1-yl)aniline?
The canonical SMILES for 5-(aminomethyl)-2-(4-methylpyrazol-1-yl)aniline is Cc1cnn(-c2ccc(CN)cc2N)c1.
What is the InChIKey of 5-(aminomethyl)-2-(4-methylpyrazol-1-yl)aniline?
The InChIKey is JQXJAUSOPFITJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4/c1-8-6-14-15(7-8)11-3-2-9(5-12)4-10(11)13/h2-4,6-7H,5,12-13H2,1H3.
What are the key properties of 5-(aminomethyl)-2-(4-methylpyrazol-1-yl)aniline?
5-(aminomethyl)-2-(4-methylpyrazol-1-yl)aniline has a molecular weight of 202.26 g/mol, XLogP of 1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-(4-methylpyrazol-1-yl)aniline is sourced from PubChem (CID 82506416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).