3-(4-methoxyphenyl)-1H-indazol-5-amine;hydrochloride

C14H14ClN3O — CID 22479947

IUPAC3-(4-methoxyphenyl)-1H-indazol-5-amine;hydrochloride
SMILESCOc1ccc(-c2n[nH]c3ccc(N)cc23)cc1.Cl
InChIInChI=1S/C14H13N3O.ClH/c1-18-11-5-2-9(3-6-11)14-12-8-10(15)4-7-13(12)16-17-14;/h2-8H,15H2,1H3,(H,16,17);1H
InChIKeyOHTGTQKYTJRVFE-UHFFFAOYSA-N
MW275.74 g/mol
LogP3.24
Rot. Bonds2

About 3-(4-methoxyphenyl)-1H-indazol-5-amine;hydrochloride

3-(4-methoxyphenyl)-1H-indazol-5-amine;hydrochloride (PubChem CID 22479947) has the molecular formula C14H14ClN3O and a molecular weight of 275.74 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1H-indazol-5-amine;hydrochloride.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1H-indazol-5-amine;hydrochloride
PubChem CID22479947
Molecular FormulaC14H14ClN3O
Molecular Weight275.74 g/mol
Exact Mass275.08
IUPAC Name3-(4-methoxyphenyl)-1H-indazol-5-amine;hydrochloride
SMILESCOc1ccc(-c2n[nH]c3ccc(N)cc23)cc1.Cl
InChIInChI=1S/C14H13N3O.ClH/c1-18-11-5-2-9(3-6-11)14-12-8-10(15)4-7-13(12)16-17-14;/h2-8H,15H2,1H3,(H,16,17);1H
InChIKeyOHTGTQKYTJRVFE-UHFFFAOYSA-N
XLogP3.24
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 53.24
H-Bond Donors ≤ 52
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 3-(4-methoxyphenyl)-1H-indazol-5-amine;hydrochloride?
The IUPAC name of 3-(4-methoxyphenyl)-1H-indazol-5-amine;hydrochloride (CID 22479947) is 3-(4-methoxyphenyl)-1H-indazol-5-amine;hydrochloride.
What is the SMILES notation for 3-(4-methoxyphenyl)-1H-indazol-5-amine;hydrochloride?
The canonical SMILES for 3-(4-methoxyphenyl)-1H-indazol-5-amine;hydrochloride is COc1ccc(-c2n[nH]c3ccc(N)cc23)cc1.Cl.
What is the InChIKey of 3-(4-methoxyphenyl)-1H-indazol-5-amine;hydrochloride?
The InChIKey is OHTGTQKYTJRVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O.ClH/c1-18-11-5-2-9(3-6-11)14-12-8-10(15)4-7-13(12)16-17-14;/h2-8H,15H2,1H3,(H,16,17);1H.
What are the key properties of 3-(4-methoxyphenyl)-1H-indazol-5-amine;hydrochloride?
3-(4-methoxyphenyl)-1H-indazol-5-amine;hydrochloride has a molecular weight of 275.74 g/mol, XLogP of 3.24, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-1H-indazol-5-amine;hydrochloride is sourced from PubChem (CID 22479947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).