5-amino-N-(4-hydroxybutan-2-yl)-1H-indazole-3-carboxamide

C12H16N4O2 — CID 83176979

IUPAC5-amino-N-(4-hydroxybutan-2-yl)-1H-indazole-3-carboxamide
SMILESCC(CCO)NC(=O)c1n[nH]c2ccc(N)cc12
InChIInChI=1S/C12H16N4O2/c1-7(4-5-17)14-12(18)11-9-6-8(13)2-3-10(9)15-16-11/h2-3,6-7,17H,4-5,13H2,1H3,(H,14,18)(H,15,16)
InChIKeySAWOIHMBJNZBPP-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.65
Rot. Bonds4

About 5-amino-N-(4-hydroxybutan-2-yl)-1H-indazole-3-carboxamide

5-amino-N-(4-hydroxybutan-2-yl)-1H-indazole-3-carboxamide (PubChem CID 83176979) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 5-amino-N-(4-hydroxybutan-2-yl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-amino-N-(4-hydroxybutan-2-yl)-1H-indazole-3-carboxamide
PubChem CID83176979
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name5-amino-N-(4-hydroxybutan-2-yl)-1H-indazole-3-carboxamide
SMILESCC(CCO)NC(=O)c1n[nH]c2ccc(N)cc12
InChIInChI=1S/C12H16N4O2/c1-7(4-5-17)14-12(18)11-9-6-8(13)2-3-10(9)15-16-11/h2-3,6-7,17H,4-5,13H2,1H3,(H,14,18)(H,15,16)
InChIKeySAWOIHMBJNZBPP-UHFFFAOYSA-N
XLogP0.65
TPSA104.03 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-[(2S)-1-hydroxybutan-2-yl]-1H-indazole-3-carboxamide
CID 94177019
N-(1-hydroxypropan-2-yl)-5-methyl-1H-indazole-3-carboxamide
CID 110888660
5-amino-N-ethyl-1H-indazole-3-carboxamide
CID 60909138
N-[(2S)-1-aminopropan-2-yl]-5-bromo-1H-indazole-3-carboxamide
CID 120504693
N-(1-hydroxypropan-2-yl)-5-nitro-1H-indazole-3-carboxamide
CID 78856338
5-amino-N-[3-(hydroxymethyl)pentan-3-yl]-1H-indazole-3-carboxamide
CID 62523247
5-amino-N-[2-(2-hydroxyethoxy)ethyl]-1H-indazole-3-carboxamide
CID 55083677
5-amino-N-(2-hydroxyethyl)-N-propan-2-yl-1H-indazole-3-carboxamide
CID 54944396
5-amino-N-(4-propan-2-yloxybutyl)-1H-indazole-3-carboxamide
CID 106006184
5-amino-N-(2,2,3,3-tetrafluoropropyl)-1H-indazole-3-carboxamide
CID 106289149
5-amino-N-(2,2-difluoro-3-hydroxypropyl)-1H-indazole-3-carboxamide
CID 106164289
N-[(2S)-1-aminopropan-2-yl]-5-nitro-1H-indazole-3-carboxamide;hydrochloride
CID 120504848

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4-hydroxybutan-2-yl)-1H-indazole-3-carboxamide?
The IUPAC name of 5-amino-N-(4-hydroxybutan-2-yl)-1H-indazole-3-carboxamide (CID 83176979) is 5-amino-N-(4-hydroxybutan-2-yl)-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-amino-N-(4-hydroxybutan-2-yl)-1H-indazole-3-carboxamide?
The canonical SMILES for 5-amino-N-(4-hydroxybutan-2-yl)-1H-indazole-3-carboxamide is CC(CCO)NC(=O)c1n[nH]c2ccc(N)cc12.
What is the InChIKey of 5-amino-N-(4-hydroxybutan-2-yl)-1H-indazole-3-carboxamide?
The InChIKey is SAWOIHMBJNZBPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-7(4-5-17)14-12(18)11-9-6-8(13)2-3-10(9)15-16-11/h2-3,6-7,17H,4-5,13H2,1H3,(H,14,18)(H,15,16).
What are the key properties of 5-amino-N-(4-hydroxybutan-2-yl)-1H-indazole-3-carboxamide?
5-amino-N-(4-hydroxybutan-2-yl)-1H-indazole-3-carboxamide has a molecular weight of 248.29 g/mol, XLogP of 0.65, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(4-hydroxybutan-2-yl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 83176979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).