N-[6-(2-hydroxypropan-2-yl)-1H-indazol-5-yl]formamide

C11H13N3O2 — CID 146589495

IUPACN-[6-(2-hydroxypropan-2-yl)-1H-indazol-5-yl]formamide
SMILESCC(C)(O)c1cc2[nH]ncc2cc1NC=O
InChIInChI=1S/C11H13N3O2/c1-11(2,16)8-4-9-7(5-13-14-9)3-10(8)12-6-15/h3-6,16H,1-2H3,(H,12,15)(H,13,14)
InChIKeyKBWCDZFONDBNPK-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.36
Rot. Bonds3

About N-[6-(2-hydroxypropan-2-yl)-1H-indazol-5-yl]formamide

N-[6-(2-hydroxypropan-2-yl)-1H-indazol-5-yl]formamide (PubChem CID 146589495) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is N-[6-(2-hydroxypropan-2-yl)-1H-indazol-5-yl]formamide.

Molecular Properties

Compound NameN-[6-(2-hydroxypropan-2-yl)-1H-indazol-5-yl]formamide
PubChem CID146589495
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC NameN-[6-(2-hydroxypropan-2-yl)-1H-indazol-5-yl]formamide
SMILESCC(C)(O)c1cc2[nH]ncc2cc1NC=O
InChIInChI=1S/C11H13N3O2/c1-11(2,16)8-4-9-7(5-13-14-9)3-10(8)12-6-15/h3-6,16H,1-2H3,(H,12,15)(H,13,14)
InChIKeyKBWCDZFONDBNPK-UHFFFAOYSA-N
XLogP1.36
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[5-(methylamino)-1H-indazol-6-yl]propan-2-ol
CID 169214978
N-(5-bromo-1H-indazol-6-yl)formamide
CID 168653243
6-(1,1-difluoroethyl)-N-[6-(2-hydroxypropan-2-yl)-1H-indazol-5-yl]pyridine-2-carboxamide
CID 164801989
7-formylpyrrolo[1,2-b]pyridazine-3-carboxamide;2-[5-(methylamino)-1H-indazol-6-yl]propan-2-ol
CID 177134879
carbanide;cyclohexane;2-(1,1-difluoroethyl)-N-[6-(2-hydroxypropan-2-yl)-1H-indazol-5-yl]pyrimidine-5-carboxamide;yttrium
CID 155751858
6-N-tert-butyl-1H-indazole-5,6-diamine
CID 107488480
1-[6-(2-hydroxypropan-2-yl)-1H-indazol-5-yl]-6-(trifluoromethyl)-2H-pyridine-2-carboxylic acid
CID 150730994
tert-butyl N-(6-bromo-1H-indazol-5-yl)carbamate
CID 118182563
1-[6-(2-hydroxypropan-2-yl)-1H-indazol-5-yl]-6-(trifluoromethyl)-2H-pyridine-2-carboxylate
CID 150730993
2-hydroxyimino-N-(5-methyl-1H-indazol-6-yl)acetamide
CID 173074715
6-(difluoromethyl)-N-methyl-1H-indazol-5-amine
CID 155751931
1-(1H-indazol-6-ylmethylamino)-2-methylpropan-2-ol
CID 115621594

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-hydroxypropan-2-yl)-1H-indazol-5-yl]formamide?
The IUPAC name of N-[6-(2-hydroxypropan-2-yl)-1H-indazol-5-yl]formamide (CID 146589495) is N-[6-(2-hydroxypropan-2-yl)-1H-indazol-5-yl]formamide.
What is the SMILES notation for N-[6-(2-hydroxypropan-2-yl)-1H-indazol-5-yl]formamide?
The canonical SMILES for N-[6-(2-hydroxypropan-2-yl)-1H-indazol-5-yl]formamide is CC(C)(O)c1cc2[nH]ncc2cc1NC=O.
What is the InChIKey of N-[6-(2-hydroxypropan-2-yl)-1H-indazol-5-yl]formamide?
The InChIKey is KBWCDZFONDBNPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-11(2,16)8-4-9-7(5-13-14-9)3-10(8)12-6-15/h3-6,16H,1-2H3,(H,12,15)(H,13,14).
What are the key properties of N-[6-(2-hydroxypropan-2-yl)-1H-indazol-5-yl]formamide?
N-[6-(2-hydroxypropan-2-yl)-1H-indazol-5-yl]formamide has a molecular weight of 219.24 g/mol, XLogP of 1.36, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-hydroxypropan-2-yl)-1H-indazol-5-yl]formamide is sourced from PubChem (CID 146589495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).