N-(1-hydroxypropan-2-yl)-5-nitro-1H-indazole-3-carboxamide

C11H12N4O4 — CID 78856338

IUPACN-(1-hydroxypropan-2-yl)-5-nitro-1H-indazole-3-carboxamide
SMILESCC(CO)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C11H12N4O4/c1-6(5-16)12-11(17)10-8-4-7(15(18)19)2-3-9(8)13-14-10/h2-4,6,16H,5H2,1H3,(H,12,17)(H,13,14)
InChIKeyGRQZLVZRDPZZHS-UHFFFAOYSA-N
MW264.24 g/mol
LogP0.58
Rot. Bonds4

About N-(1-hydroxypropan-2-yl)-5-nitro-1H-indazole-3-carboxamide

N-(1-hydroxypropan-2-yl)-5-nitro-1H-indazole-3-carboxamide (PubChem CID 78856338) has the molecular formula C11H12N4O4 and a molecular weight of 264.24 g/mol. Its IUPAC name is N-(1-hydroxypropan-2-yl)-5-nitro-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxypropan-2-yl)-5-nitro-1H-indazole-3-carboxamide
PubChem CID78856338
Molecular FormulaC11H12N4O4
Molecular Weight264.24 g/mol
Exact Mass264.09
IUPAC NameN-(1-hydroxypropan-2-yl)-5-nitro-1H-indazole-3-carboxamide
SMILESCC(CO)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C11H12N4O4/c1-6(5-16)12-11(17)10-8-4-7(15(18)19)2-3-9(8)13-14-10/h2-4,6,16H,5H2,1H3,(H,12,17)(H,13,14)
InChIKeyGRQZLVZRDPZZHS-UHFFFAOYSA-N
XLogP0.58
TPSA121.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2S)-1-aminopropan-2-yl]-5-nitro-1H-indazole-3-carboxamide;hydrochloride
CID 120504848
(2R)-3-methyl-2-[(5-nitro-1H-indazole-3-carbonyl)amino]butanoic acid
CID 119368722
N-(3-hydroxybutyl)-5-nitro-1H-indazole-3-carboxamide
CID 111429041
N-(1-hydroxypropan-2-yl)-5-methyl-1H-indazole-3-carboxamide
CID 110888660
N-(3-aminobutyl)-5-nitro-1H-indazole-3-carboxamide
CID 119495670
N-(4-hydroxy-2,2-dimethylpentyl)-5-nitro-1H-indazole-3-carboxamide
CID 111480035
5-nitro-N-[(2S)-2-phenylpropyl]-1H-indazole-3-carboxamide
CID 35411829
5-nitro-N-(4-propan-2-yloxyphenyl)-1H-indazole-3-carboxamide
CID 60516598
5-nitro-N-(pyrrolidin-2-ylmethyl)-1H-indazole-3-carboxamide
CID 119510662
N-[2-[(S)-tert-butylsulfinyl]ethyl]-5-nitro-1H-indazole-3-carboxamide
CID 95767268
N-[2-[(R)-tert-butylsulfinyl]ethyl]-5-nitro-1H-indazole-3-carboxamide
CID 95767269
5-amino-N-(4-hydroxybutan-2-yl)-1H-indazole-3-carboxamide
CID 83176979

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypropan-2-yl)-5-nitro-1H-indazole-3-carboxamide?
The IUPAC name of N-(1-hydroxypropan-2-yl)-5-nitro-1H-indazole-3-carboxamide (CID 78856338) is N-(1-hydroxypropan-2-yl)-5-nitro-1H-indazole-3-carboxamide.
What is the SMILES notation for N-(1-hydroxypropan-2-yl)-5-nitro-1H-indazole-3-carboxamide?
The canonical SMILES for N-(1-hydroxypropan-2-yl)-5-nitro-1H-indazole-3-carboxamide is CC(CO)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12.
What is the InChIKey of N-(1-hydroxypropan-2-yl)-5-nitro-1H-indazole-3-carboxamide?
The InChIKey is GRQZLVZRDPZZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O4/c1-6(5-16)12-11(17)10-8-4-7(15(18)19)2-3-9(8)13-14-10/h2-4,6,16H,5H2,1H3,(H,12,17)(H,13,14).
What are the key properties of N-(1-hydroxypropan-2-yl)-5-nitro-1H-indazole-3-carboxamide?
N-(1-hydroxypropan-2-yl)-5-nitro-1H-indazole-3-carboxamide has a molecular weight of 264.24 g/mol, XLogP of 0.58, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypropan-2-yl)-5-nitro-1H-indazole-3-carboxamide is sourced from PubChem (CID 78856338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).