N-[(2R)-1-hydroxypropan-2-yl]-1H-indazole-5-carboxamide

C11H13N3O2 — CID 79027801

IUPACN-[(2R)-1-hydroxypropan-2-yl]-1H-indazole-5-carboxamide
SMILESC[C@H](CO)NC(=O)c1ccc2[nH]ncc2c1
InChIInChI=1S/C11H13N3O2/c1-7(6-15)13-11(16)8-2-3-10-9(4-8)5-12-14-10/h2-5,7,15H,6H2,1H3,(H,12,14)(H,13,16)/t7-/m1/s1
InChIKeyFVVNKWFGHFETCK-SSDOTTSWSA-N
MW219.24 g/mol
LogP0.67
Rot. Bonds3

About N-[(2R)-1-hydroxypropan-2-yl]-1H-indazole-5-carboxamide

N-[(2R)-1-hydroxypropan-2-yl]-1H-indazole-5-carboxamide (PubChem CID 79027801) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is N-[(2R)-1-hydroxypropan-2-yl]-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-hydroxypropan-2-yl]-1H-indazole-5-carboxamide
PubChem CID79027801
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC NameN-[(2R)-1-hydroxypropan-2-yl]-1H-indazole-5-carboxamide
SMILESC[C@H](CO)NC(=O)c1ccc2[nH]ncc2c1
InChIInChI=1S/C11H13N3O2/c1-7(6-15)13-11(16)8-2-3-10-9(4-8)5-12-14-10/h2-5,7,15H,6H2,1H3,(H,12,14)(H,13,16)/t7-/m1/s1
InChIKeyFVVNKWFGHFETCK-SSDOTTSWSA-N
XLogP0.67
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 ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1H-indazole-5-carbonylamino)butanoic acid
CID 43172665
(2R)-2-(1H-indazole-5-carbonylamino)-3-methylbutanoic acid
CID 79011193
N-methyl-1H-indazole-5-carboxamide
CID 22934041
tert-butyl (2R)-2-(1H-indazole-5-carbonylamino)propanoate
CID 80999514
N-tert-butyl-1H-indazole-5-carboxamide
CID 22933425
N-(1-phenylpropan-2-yl)-1H-indazole-6-carboxamide
CID 63010618
(2R)-2-(1H-indazole-6-carbonylamino)propanoic acid
CID 51888645
N-(3-propan-2-yloxypropyl)-1H-indazole-5-carboxamide
CID 110485437
(2R)-3-hydroxy-2-(1H-indazole-6-carbonylamino)propanoic acid
CID 80751119
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1H-indazole-6-carboxamide
CID 106156100
N-(3-hydroxy-2,2,4-trimethylpentyl)-1H-indazole-5-carboxamide
CID 109381268
methyl 3-(1H-indazole-5-carbonylamino)-2-methyl-3-phenylpropanoate
CID 119042310

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-hydroxypropan-2-yl]-1H-indazole-5-carboxamide?
The IUPAC name of N-[(2R)-1-hydroxypropan-2-yl]-1H-indazole-5-carboxamide (CID 79027801) is N-[(2R)-1-hydroxypropan-2-yl]-1H-indazole-5-carboxamide.
What is the SMILES notation for N-[(2R)-1-hydroxypropan-2-yl]-1H-indazole-5-carboxamide?
The canonical SMILES for N-[(2R)-1-hydroxypropan-2-yl]-1H-indazole-5-carboxamide is C[C@H](CO)NC(=O)c1ccc2[nH]ncc2c1.
What is the InChIKey of N-[(2R)-1-hydroxypropan-2-yl]-1H-indazole-5-carboxamide?
The InChIKey is FVVNKWFGHFETCK-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-7(6-15)13-11(16)8-2-3-10-9(4-8)5-12-14-10/h2-5,7,15H,6H2,1H3,(H,12,14)(H,13,16)/t7-/m1/s1.
What are the key properties of N-[(2R)-1-hydroxypropan-2-yl]-1H-indazole-5-carboxamide?
N-[(2R)-1-hydroxypropan-2-yl]-1H-indazole-5-carboxamide has a molecular weight of 219.24 g/mol, XLogP of 0.67, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-hydroxypropan-2-yl]-1H-indazole-5-carboxamide is sourced from PubChem (CID 79027801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).