tert-butyl 4-amino-3-(3-hydroxypropyl)indazole-1-carboxylate

C15H21N3O3 — CID 143638302

IUPACtert-butyl 4-amino-3-(3-hydroxypropyl)indazole-1-carboxylate
SMILESCC(C)(C)OC(=O)n1nc(CCCO)c2c(N)cccc21
InChIInChI=1S/C15H21N3O3/c1-15(2,3)21-14(20)18-12-8-4-6-10(16)13(12)11(17-18)7-5-9-19/h4,6,8,19H,5,7,9,16H2,1-3H3
InChIKeyIHNIVJABPPQZSC-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.33
Rot. Bonds3

About tert-butyl 4-amino-3-(3-hydroxypropyl)indazole-1-carboxylate

tert-butyl 4-amino-3-(3-hydroxypropyl)indazole-1-carboxylate (PubChem CID 143638302) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is tert-butyl 4-amino-3-(3-hydroxypropyl)indazole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-amino-3-(3-hydroxypropyl)indazole-1-carboxylate
PubChem CID143638302
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Nametert-butyl 4-amino-3-(3-hydroxypropyl)indazole-1-carboxylate
SMILESCC(C)(C)OC(=O)n1nc(CCCO)c2c(N)cccc21
InChIInChI=1S/C15H21N3O3/c1-15(2,3)21-14(20)18-12-8-4-6-10(16)13(12)11(17-18)7-5-9-19/h4,6,8,19H,5,7,9,16H2,1-3H3
InChIKeyIHNIVJABPPQZSC-UHFFFAOYSA-N
XLogP2.33
TPSA90.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-amino-3-(3-hydroxypropyl)indazole-1-carboxylate?
The IUPAC name of tert-butyl 4-amino-3-(3-hydroxypropyl)indazole-1-carboxylate (CID 143638302) is tert-butyl 4-amino-3-(3-hydroxypropyl)indazole-1-carboxylate.
What is the SMILES notation for tert-butyl 4-amino-3-(3-hydroxypropyl)indazole-1-carboxylate?
The canonical SMILES for tert-butyl 4-amino-3-(3-hydroxypropyl)indazole-1-carboxylate is CC(C)(C)OC(=O)n1nc(CCCO)c2c(N)cccc21.
What is the InChIKey of tert-butyl 4-amino-3-(3-hydroxypropyl)indazole-1-carboxylate?
The InChIKey is IHNIVJABPPQZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-15(2,3)21-14(20)18-12-8-4-6-10(16)13(12)11(17-18)7-5-9-19/h4,6,8,19H,5,7,9,16H2,1-3H3.
What are the key properties of tert-butyl 4-amino-3-(3-hydroxypropyl)indazole-1-carboxylate?
tert-butyl 4-amino-3-(3-hydroxypropyl)indazole-1-carboxylate has a molecular weight of 291.35 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-amino-3-(3-hydroxypropyl)indazole-1-carboxylate is sourced from PubChem (CID 143638302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).