2-(pyrazol-1-ylmethyl)aniline

C10H11N3 — CID 16640601

IUPAC2-(pyrazol-1-ylmethyl)aniline
SMILESNc1ccccc1Cn1cccn1
InChIInChI=1S/C10H11N3/c11-10-5-2-1-4-9(10)8-13-7-3-6-12-13/h1-7H,8,11H2
InChIKeyOSQOHYYOWHKCCE-UHFFFAOYSA-N
MW173.22 g/mol
LogP1.51
Rot. Bonds2

About 2-(pyrazol-1-ylmethyl)aniline

2-(pyrazol-1-ylmethyl)aniline (PubChem CID 16640601) has the molecular formula C10H11N3 and a molecular weight of 173.22 g/mol. Its IUPAC name is 2-(pyrazol-1-ylmethyl)aniline.

Molecular Properties

Compound Name2-(pyrazol-1-ylmethyl)aniline
PubChem CID16640601
Molecular FormulaC10H11N3
Molecular Weight173.22 g/mol
Exact Mass173.10
IUPAC Name2-(pyrazol-1-ylmethyl)aniline
SMILESNc1ccccc1Cn1cccn1
InChIInChI=1S/C10H11N3/c11-10-5-2-1-4-9(10)8-13-7-3-6-12-13/h1-7H,8,11H2
InChIKeyOSQOHYYOWHKCCE-UHFFFAOYSA-N
XLogP1.51
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(pyrazol-1-ylmethyl)aniline?
The IUPAC name of 2-(pyrazol-1-ylmethyl)aniline (CID 16640601) is 2-(pyrazol-1-ylmethyl)aniline.
What is the SMILES notation for 2-(pyrazol-1-ylmethyl)aniline?
The canonical SMILES for 2-(pyrazol-1-ylmethyl)aniline is Nc1ccccc1Cn1cccn1.
What is the InChIKey of 2-(pyrazol-1-ylmethyl)aniline?
The InChIKey is OSQOHYYOWHKCCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3/c11-10-5-2-1-4-9(10)8-13-7-3-6-12-13/h1-7H,8,11H2.
What are the key properties of 2-(pyrazol-1-ylmethyl)aniline?
2-(pyrazol-1-ylmethyl)aniline has a molecular weight of 173.22 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyrazol-1-ylmethyl)aniline is sourced from PubChem (CID 16640601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).