5-amino-N-[(2S)-1-hydroxybutan-2-yl]-1H-indazole-3-carboxamide

C12H16N4O2 — CID 94177019

IUPAC5-amino-N-[(2S)-1-hydroxybutan-2-yl]-1H-indazole-3-carboxamide
SMILESCC[C@@H](CO)NC(=O)c1n[nH]c2ccc(N)cc12
InChIInChI=1S/C12H16N4O2/c1-2-8(6-17)14-12(18)11-9-5-7(13)3-4-10(9)15-16-11/h3-5,8,17H,2,6,13H2,1H3,(H,14,18)(H,15,16)/t8-/m0/s1
InChIKeyKVEOEUGPNATSMH-QMMMGPOBSA-N
MW248.29 g/mol
LogP0.65
Rot. Bonds4

About 5-amino-N-[(2S)-1-hydroxybutan-2-yl]-1H-indazole-3-carboxamide

5-amino-N-[(2S)-1-hydroxybutan-2-yl]-1H-indazole-3-carboxamide (PubChem CID 94177019) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 5-amino-N-[(2S)-1-hydroxybutan-2-yl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-amino-N-[(2S)-1-hydroxybutan-2-yl]-1H-indazole-3-carboxamide
PubChem CID94177019
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name5-amino-N-[(2S)-1-hydroxybutan-2-yl]-1H-indazole-3-carboxamide
SMILESCC[C@@H](CO)NC(=O)c1n[nH]c2ccc(N)cc12
InChIInChI=1S/C12H16N4O2/c1-2-8(6-17)14-12(18)11-9-5-7(13)3-4-10(9)15-16-11/h3-5,8,17H,2,6,13H2,1H3,(H,14,18)(H,15,16)/t8-/m0/s1
InChIKeyKVEOEUGPNATSMH-QMMMGPOBSA-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

N-[(2R)-1-hydroxybutan-2-yl]-1H-indazole-3-carboxamide
CID 103920152
5-amino-N-(4-hydroxybutan-2-yl)-1H-indazole-3-carboxamide
CID 83176979
5-amino-N-ethyl-1H-indazole-3-carboxamide
CID 60909138
5-amino-N-[3-(hydroxymethyl)pentan-3-yl]-1H-indazole-3-carboxamide
CID 62523247
5-amino-N-(4-ethyl-1H-pyrazol-5-yl)-1H-indazole-3-carboxamide
CID 104616617
N-(1-hydroxypropan-2-yl)-5-methyl-1H-indazole-3-carboxamide
CID 110888660
6-amino-N-[(2R)-1-hydroxybutan-2-yl]-1H-indole-3-carboxamide
CID 107211217
5-amino-N-(5-fluoro-2-methylphenyl)-1H-indazole-3-carboxamide
CID 60904758
5-amino-N-[(2R)-butan-2-yl]-N-ethyl-1H-indazole-3-carboxamide
CID 94177007
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
5-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1H-indazole-3-carboxamide
CID 61140575

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(2S)-1-hydroxybutan-2-yl]-1H-indazole-3-carboxamide?
The IUPAC name of 5-amino-N-[(2S)-1-hydroxybutan-2-yl]-1H-indazole-3-carboxamide (CID 94177019) is 5-amino-N-[(2S)-1-hydroxybutan-2-yl]-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-amino-N-[(2S)-1-hydroxybutan-2-yl]-1H-indazole-3-carboxamide?
The canonical SMILES for 5-amino-N-[(2S)-1-hydroxybutan-2-yl]-1H-indazole-3-carboxamide is CC[C@@H](CO)NC(=O)c1n[nH]c2ccc(N)cc12.
What is the InChIKey of 5-amino-N-[(2S)-1-hydroxybutan-2-yl]-1H-indazole-3-carboxamide?
The InChIKey is KVEOEUGPNATSMH-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-2-8(6-17)14-12(18)11-9-5-7(13)3-4-10(9)15-16-11/h3-5,8,17H,2,6,13H2,1H3,(H,14,18)(H,15,16)/t8-/m0/s1.
What are the key properties of 5-amino-N-[(2S)-1-hydroxybutan-2-yl]-1H-indazole-3-carboxamide?
5-amino-N-[(2S)-1-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-[(2S)-1-hydroxybutan-2-yl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 94177019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).