methyl 5-(4-aminophenyl)-1H-indazole-3-carboxylate

C15H13N3O2 — CID 46235776

IUPACmethyl 5-(4-aminophenyl)-1H-indazole-3-carboxylate
SMILESCOC(=O)c1n[nH]c2ccc(-c3ccc(N)cc3)cc12
InChIInChI=1S/C15H13N3O2/c1-20-15(19)14-12-8-10(4-7-13(12)17-18-14)9-2-5-11(16)6-3-9/h2-8H,16H2,1H3,(H,17,18)
InChIKeyFXSREKNLDCDZGM-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.60
Rot. Bonds2

About methyl 5-(4-aminophenyl)-1H-indazole-3-carboxylate

methyl 5-(4-aminophenyl)-1H-indazole-3-carboxylate (PubChem CID 46235776) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is methyl 5-(4-aminophenyl)-1H-indazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-(4-aminophenyl)-1H-indazole-3-carboxylate
PubChem CID46235776
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Namemethyl 5-(4-aminophenyl)-1H-indazole-3-carboxylate
SMILESCOC(=O)c1n[nH]c2ccc(-c3ccc(N)cc3)cc12
InChIInChI=1S/C15H13N3O2/c1-20-15(19)14-12-8-10(4-7-13(12)17-18-14)9-2-5-11(16)6-3-9/h2-8H,16H2,1H3,(H,17,18)
InChIKeyFXSREKNLDCDZGM-UHFFFAOYSA-N
XLogP2.60
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

methyl 5-[4-(2-aminopropan-2-yl)phenyl]-1H-indazole-3-carboxylate;dihydrochloride
CID 23134641
methyl 5-[4-[3-amino-2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]phenyl]-1H-indazole-3-carboxylate
CID 174492939
1-[6-(4-aminophenyl)-1H-indazol-3-yl]ethanone
CID 91125991
methyl 5-(1,2,2-tricyanoethenylamino)-1H-indazole-3-carboxylate
CID 168609857
5-amino-N-ethyl-1H-indazole-3-carboxamide
CID 60909138
methyl 6-(dimethylamino)-1H-indazole-3-carboxylate
CID 174716841
cyclohexyl 5-amino-1H-indazole-3-carboxylate
CID 61310618
methyl 5-[(2-prop-2-enylsulfanylacetyl)amino]-1H-indazole-3-carboxylate
CID 51089012
methyl 5-(3,4-dihydronaphthalen-2-ylsulfonylamino)-1H-indazole-3-carboxylate
CID 46594227
ethyl 6-(3-aminophenyl)-1H-indazole-3-carboxylate
CID 46235778
2-[4-(3-amino-1H-indazol-5-yl)phenoxy]acetic acid;ethane
CID 143156346
methyl 6-isocyano-1H-indazole-3-carboxylate
CID 123684717

Frequently Asked Questions

What is the IUPAC name of methyl 5-(4-aminophenyl)-1H-indazole-3-carboxylate?
The IUPAC name of methyl 5-(4-aminophenyl)-1H-indazole-3-carboxylate (CID 46235776) is methyl 5-(4-aminophenyl)-1H-indazole-3-carboxylate.
What is the SMILES notation for methyl 5-(4-aminophenyl)-1H-indazole-3-carboxylate?
The canonical SMILES for methyl 5-(4-aminophenyl)-1H-indazole-3-carboxylate is COC(=O)c1n[nH]c2ccc(-c3ccc(N)cc3)cc12.
What is the InChIKey of methyl 5-(4-aminophenyl)-1H-indazole-3-carboxylate?
The InChIKey is FXSREKNLDCDZGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-20-15(19)14-12-8-10(4-7-13(12)17-18-14)9-2-5-11(16)6-3-9/h2-8H,16H2,1H3,(H,17,18).
What are the key properties of methyl 5-(4-aminophenyl)-1H-indazole-3-carboxylate?
methyl 5-(4-aminophenyl)-1H-indazole-3-carboxylate has a molecular weight of 267.29 g/mol, XLogP of 2.60, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(4-aminophenyl)-1H-indazole-3-carboxylate is sourced from PubChem (CID 46235776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).