N-(2-methoxy-2-methylpropyl)-1H-indazole-6-carboxamide

C13H17N3O2 — CID 115665391

IUPACN-(2-methoxy-2-methylpropyl)-1H-indazole-6-carboxamide
SMILESCOC(C)(C)CNC(=O)c1ccc2cn[nH]c2c1
InChIInChI=1S/C13H17N3O2/c1-13(2,18-3)8-14-12(17)9-4-5-10-7-15-16-11(10)6-9/h4-7H,8H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyYXGPRZQCKNPKCB-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.72
Rot. Bonds4

About N-(2-methoxy-2-methylpropyl)-1H-indazole-6-carboxamide

N-(2-methoxy-2-methylpropyl)-1H-indazole-6-carboxamide (PubChem CID 115665391) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is N-(2-methoxy-2-methylpropyl)-1H-indazole-6-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-2-methylpropyl)-1H-indazole-6-carboxamide
PubChem CID115665391
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC NameN-(2-methoxy-2-methylpropyl)-1H-indazole-6-carboxamide
SMILESCOC(C)(C)CNC(=O)c1ccc2cn[nH]c2c1
InChIInChI=1S/C13H17N3O2/c1-13(2,18-3)8-14-12(17)9-4-5-10-7-15-16-11(10)6-9/h4-7H,8H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyYXGPRZQCKNPKCB-UHFFFAOYSA-N
XLogP1.72
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methyl-2-methylsulfanylpropyl)-1H-indazole-6-carboxamide
CID 113246168
N-[2-ethyl-2-(hydroxymethyl)butyl]-1H-indazole-6-carboxamide
CID 106251304
N-(1-amino-2-methylpropan-2-yl)-1H-indazole-6-carboxamide
CID 63194069
N-[(4-methoxyphenyl)methyl]-1H-indazole-6-carboxamide
CID 46341632
methyl 6-(1H-indazole-6-carbonylamino)hexanoate
CID 43423425
N-(3,3,3-trifluoropropyl)-1H-indazole-6-carboxamide
CID 63227826
N-(4,4,4-trifluorobutyl)-1H-indazole-6-carboxamide
CID 79039225
N-(3-aminobutyl)-1H-indazole-6-carboxamide
CID 63253437
N-[(2-methoxy-4-pyridinyl)methyl]-1H-indazole-6-carboxamide
CID 60721835
2-hydroxy-3-(1H-indazole-6-carbonylamino)propanoic acid
CID 66166001
N-[(4-hydroxycyclohexyl)methyl]-1H-indazole-6-carboxamide
CID 106121573
N-[(5-bromo-2-methoxyphenyl)methyl]-1H-indazole-6-carboxamide
CID 46341642

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-2-methylpropyl)-1H-indazole-6-carboxamide?
The IUPAC name of N-(2-methoxy-2-methylpropyl)-1H-indazole-6-carboxamide (CID 115665391) is N-(2-methoxy-2-methylpropyl)-1H-indazole-6-carboxamide.
What is the SMILES notation for N-(2-methoxy-2-methylpropyl)-1H-indazole-6-carboxamide?
The canonical SMILES for N-(2-methoxy-2-methylpropyl)-1H-indazole-6-carboxamide is COC(C)(C)CNC(=O)c1ccc2cn[nH]c2c1.
What is the InChIKey of N-(2-methoxy-2-methylpropyl)-1H-indazole-6-carboxamide?
The InChIKey is YXGPRZQCKNPKCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-13(2,18-3)8-14-12(17)9-4-5-10-7-15-16-11(10)6-9/h4-7H,8H2,1-3H3,(H,14,17)(H,15,16).
What are the key properties of N-(2-methoxy-2-methylpropyl)-1H-indazole-6-carboxamide?
N-(2-methoxy-2-methylpropyl)-1H-indazole-6-carboxamide has a molecular weight of 247.30 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-2-methylpropyl)-1H-indazole-6-carboxamide is sourced from PubChem (CID 115665391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).