2-(5-methyl-1H-pyrazol-3-yl)aniline

C10H11N3 — CID 713168

IUPAC2-(5-methyl-1H-pyrazol-3-yl)aniline
SMILESCc1cc(-c2ccccc2N)n[nH]1
InChIInChI=1S/C10H11N3/c1-7-6-10(13-12-7)8-4-2-3-5-9(8)11/h2-6H,11H2,1H3,(H,12,13)
InChIKeyAISXDDNPFKZTJA-UHFFFAOYSA-N
MW173.22 g/mol
LogP1.97
Rot. Bonds1

About 2-(5-methyl-1H-pyrazol-3-yl)aniline

2-(5-methyl-1H-pyrazol-3-yl)aniline (PubChem CID 713168) has the molecular formula C10H11N3 and a molecular weight of 173.22 g/mol. Its IUPAC name is 2-(5-methyl-1H-pyrazol-3-yl)aniline.

Molecular Properties

Compound Name2-(5-methyl-1H-pyrazol-3-yl)aniline
PubChem CID713168
Molecular FormulaC10H11N3
Molecular Weight173.22 g/mol
Exact Mass173.10
IUPAC Name2-(5-methyl-1H-pyrazol-3-yl)aniline
SMILESCc1cc(-c2ccccc2N)n[nH]1
InChIInChI=1S/C10H11N3/c1-7-6-10(13-12-7)8-4-2-3-5-9(8)11/h2-6H,11H2,1H3,(H,12,13)
InChIKeyAISXDDNPFKZTJA-UHFFFAOYSA-N
XLogP1.97
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(5-methyl-1H-pyrazol-3-yl)aniline?
The IUPAC name of 2-(5-methyl-1H-pyrazol-3-yl)aniline (CID 713168) is 2-(5-methyl-1H-pyrazol-3-yl)aniline.
What is the SMILES notation for 2-(5-methyl-1H-pyrazol-3-yl)aniline?
The canonical SMILES for 2-(5-methyl-1H-pyrazol-3-yl)aniline is Cc1cc(-c2ccccc2N)n[nH]1.
What is the InChIKey of 2-(5-methyl-1H-pyrazol-3-yl)aniline?
The InChIKey is AISXDDNPFKZTJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3/c1-7-6-10(13-12-7)8-4-2-3-5-9(8)11/h2-6H,11H2,1H3,(H,12,13).
What are the key properties of 2-(5-methyl-1H-pyrazol-3-yl)aniline?
2-(5-methyl-1H-pyrazol-3-yl)aniline has a molecular weight of 173.22 g/mol, XLogP of 1.97, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1H-pyrazol-3-yl)aniline is sourced from PubChem (CID 713168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).