5-amino-N-(4-propan-2-yloxybutyl)-1H-indazole-3-carboxamide

C15H22N4O2 — CID 106006184

IUPAC5-amino-N-(4-propan-2-yloxybutyl)-1H-indazole-3-carboxamide
SMILESCC(C)OCCCCNC(=O)c1n[nH]c2ccc(N)cc12
InChIInChI=1S/C15H22N4O2/c1-10(2)21-8-4-3-7-17-15(20)14-12-9-11(16)5-6-13(12)18-19-14/h5-6,9-10H,3-4,7-8,16H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyAJTZDYURQDPIBG-UHFFFAOYSA-N
MW290.37 g/mol
LogP2.08
Rot. Bonds7

About 5-amino-N-(4-propan-2-yloxybutyl)-1H-indazole-3-carboxamide

5-amino-N-(4-propan-2-yloxybutyl)-1H-indazole-3-carboxamide (PubChem CID 106006184) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 5-amino-N-(4-propan-2-yloxybutyl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-amino-N-(4-propan-2-yloxybutyl)-1H-indazole-3-carboxamide
PubChem CID106006184
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name5-amino-N-(4-propan-2-yloxybutyl)-1H-indazole-3-carboxamide
SMILESCC(C)OCCCCNC(=O)c1n[nH]c2ccc(N)cc12
InChIInChI=1S/C15H22N4O2/c1-10(2)21-8-4-3-7-17-15(20)14-12-9-11(16)5-6-13(12)18-19-14/h5-6,9-10H,3-4,7-8,16H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyAJTZDYURQDPIBG-UHFFFAOYSA-N
XLogP2.08
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-[2-(2-hydroxyethoxy)ethyl]-1H-indazole-3-carboxamide
CID 55083677
5-amino-N-ethyl-1H-indazole-3-carboxamide
CID 60909138
5-amino-2-methyl-N-(3-propan-2-yloxypropyl)benzamide
CID 120616939
5-amino-N-(4-hydroxybutan-2-yl)-1H-indazole-3-carboxamide
CID 83176979
5-amino-N-(4-propan-2-yloxybutyl)pyridine-2-carboxamide
CID 106006135
5-amino-N-(3-imidazol-1-ylpropyl)-1H-indazole-3-carboxamide
CID 60906487
5-amino-N-(2,2,3,3-tetrafluoropropyl)-1H-indazole-3-carboxamide
CID 106289149
N-(3-propan-2-yloxypropyl)-1H-indazole-5-carboxamide
CID 110485437
5-amino-N-(1-ethylpyrazol-4-yl)-1H-indazole-3-carboxamide
CID 60905133
5-amino-N-(4-propan-2-yloxybutyl)pyrazine-2-carboxamide
CID 114137453
2-amino-N-(4-propan-2-yloxybutyl)pyridine-4-carboxamide
CID 106015103
5-amino-N-[(2S)-1-hydroxybutan-2-yl]-1H-indazole-3-carboxamide
CID 94177019

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4-propan-2-yloxybutyl)-1H-indazole-3-carboxamide?
The IUPAC name of 5-amino-N-(4-propan-2-yloxybutyl)-1H-indazole-3-carboxamide (CID 106006184) is 5-amino-N-(4-propan-2-yloxybutyl)-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-amino-N-(4-propan-2-yloxybutyl)-1H-indazole-3-carboxamide?
The canonical SMILES for 5-amino-N-(4-propan-2-yloxybutyl)-1H-indazole-3-carboxamide is CC(C)OCCCCNC(=O)c1n[nH]c2ccc(N)cc12.
What is the InChIKey of 5-amino-N-(4-propan-2-yloxybutyl)-1H-indazole-3-carboxamide?
The InChIKey is AJTZDYURQDPIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-10(2)21-8-4-3-7-17-15(20)14-12-9-11(16)5-6-13(12)18-19-14/h5-6,9-10H,3-4,7-8,16H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of 5-amino-N-(4-propan-2-yloxybutyl)-1H-indazole-3-carboxamide?
5-amino-N-(4-propan-2-yloxybutyl)-1H-indazole-3-carboxamide has a molecular weight of 290.37 g/mol, XLogP of 2.08, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(4-propan-2-yloxybutyl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 106006184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).