3-(4-methylphenyl)-1H-indazol-5-amine

C14H13N3 — CID 39218240

IUPAC3-(4-methylphenyl)-1H-indazol-5-amine
SMILESCc1ccc(-c2n[nH]c3ccc(N)cc23)cc1
InChIInChI=1S/C14H13N3/c1-9-2-4-10(5-3-9)14-12-8-11(15)6-7-13(12)16-17-14/h2-8H,15H2,1H3,(H,16,17)
InChIKeyBFNHDSZLRTZEMG-UHFFFAOYSA-N
MW223.28 g/mol
LogP3.12
Rot. Bonds1

About 3-(4-methylphenyl)-1H-indazol-5-amine

3-(4-methylphenyl)-1H-indazol-5-amine (PubChem CID 39218240) has the molecular formula C14H13N3 and a molecular weight of 223.28 g/mol. Its IUPAC name is 3-(4-methylphenyl)-1H-indazol-5-amine.

Molecular Properties

Compound Name3-(4-methylphenyl)-1H-indazol-5-amine
PubChem CID39218240
Molecular FormulaC14H13N3
Molecular Weight223.28 g/mol
Exact Mass223.11
IUPAC Name3-(4-methylphenyl)-1H-indazol-5-amine
SMILESCc1ccc(-c2n[nH]c3ccc(N)cc23)cc1
InChIInChI=1S/C14H13N3/c1-9-2-4-10(5-3-9)14-12-8-11(15)6-7-13(12)16-17-14/h2-8H,15H2,1H3,(H,16,17)
InChIKeyBFNHDSZLRTZEMG-UHFFFAOYSA-N
XLogP3.12
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 53.12
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 3-(4-methylphenyl)-1H-indazol-5-amine?
The IUPAC name of 3-(4-methylphenyl)-1H-indazol-5-amine (CID 39218240) is 3-(4-methylphenyl)-1H-indazol-5-amine.
What is the SMILES notation for 3-(4-methylphenyl)-1H-indazol-5-amine?
The canonical SMILES for 3-(4-methylphenyl)-1H-indazol-5-amine is Cc1ccc(-c2n[nH]c3ccc(N)cc23)cc1.
What is the InChIKey of 3-(4-methylphenyl)-1H-indazol-5-amine?
The InChIKey is BFNHDSZLRTZEMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3/c1-9-2-4-10(5-3-9)14-12-8-11(15)6-7-13(12)16-17-14/h2-8H,15H2,1H3,(H,16,17).
What are the key properties of 3-(4-methylphenyl)-1H-indazol-5-amine?
3-(4-methylphenyl)-1H-indazol-5-amine has a molecular weight of 223.28 g/mol, XLogP of 3.12, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-1H-indazol-5-amine is sourced from PubChem (CID 39218240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).