N-(2-hydroxy-3-methoxypropyl)-1-methylindazole-3-carboxamide

C13H17N3O3 — CID 103120182

IUPACN-(2-hydroxy-3-methoxypropyl)-1-methylindazole-3-carboxamide
SMILESCOCC(O)CNC(=O)c1nn(C)c2ccccc12
InChIInChI=1S/C13H17N3O3/c1-16-11-6-4-3-5-10(11)12(15-16)13(18)14-7-9(17)8-19-2/h3-6,9,17H,7-8H2,1-2H3,(H,14,18)
InChIKeyXDNKATJKDOXPLB-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.31
Rot. Bonds5

About N-(2-hydroxy-3-methoxypropyl)-1-methylindazole-3-carboxamide

N-(2-hydroxy-3-methoxypropyl)-1-methylindazole-3-carboxamide (PubChem CID 103120182) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is N-(2-hydroxy-3-methoxypropyl)-1-methylindazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-3-methoxypropyl)-1-methylindazole-3-carboxamide
PubChem CID103120182
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC NameN-(2-hydroxy-3-methoxypropyl)-1-methylindazole-3-carboxamide
SMILESCOCC(O)CNC(=O)c1nn(C)c2ccccc12
InChIInChI=1S/C13H17N3O3/c1-16-11-6-4-3-5-10(11)12(15-16)13(18)14-7-9(17)8-19-2/h3-6,9,17H,7-8H2,1-2H3,(H,14,18)
InChIKeyXDNKATJKDOXPLB-UHFFFAOYSA-N
XLogP0.31
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methoxypropyl)-1-methylindazole-3-carboxamide
CID 166081516
N-(2-chloropropyl)-1-methylindazole-3-carboxamide
CID 103122559
N-(4-amino-1-methoxybutan-2-yl)-1-methylindazole-3-carboxamide
CID 106152679
3-methyl-2-[[(1-methylindazole-3-carbonyl)amino]methyl]butanoic acid
CID 103116907
methyl 3-[(1-methylindazole-3-carbonyl)amino]propanoate
CID 103121172
N-[2-(2-hydroxypropylamino)ethyl]-1-methylindazole-3-carboxamide
CID 103121080
4-methoxy-1-(1-methylindazol-3-yl)butan-1-one
CID 103125569
N-(2-chloroethyl)-1-methylindazole-3-carboxamide
CID 103119713
5-methoxy-1-(1-methylindazol-3-yl)pentan-1-one
CID 112754729
methyl 3-hydroxy-2-[(1-methylindazole-3-carbonyl)amino]propanoate
CID 103121157
N-(3-bromopropyl)-1-methylindazole-3-carboxamide
CID 103119709
2-methyl-4-[(1-methylindazole-3-carbonyl)amino]butanoic acid
CID 103117045

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3-methoxypropyl)-1-methylindazole-3-carboxamide?
The IUPAC name of N-(2-hydroxy-3-methoxypropyl)-1-methylindazole-3-carboxamide (CID 103120182) is N-(2-hydroxy-3-methoxypropyl)-1-methylindazole-3-carboxamide.
What is the SMILES notation for N-(2-hydroxy-3-methoxypropyl)-1-methylindazole-3-carboxamide?
The canonical SMILES for N-(2-hydroxy-3-methoxypropyl)-1-methylindazole-3-carboxamide is COCC(O)CNC(=O)c1nn(C)c2ccccc12.
What is the InChIKey of N-(2-hydroxy-3-methoxypropyl)-1-methylindazole-3-carboxamide?
The InChIKey is XDNKATJKDOXPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-16-11-6-4-3-5-10(11)12(15-16)13(18)14-7-9(17)8-19-2/h3-6,9,17H,7-8H2,1-2H3,(H,14,18).
What are the key properties of N-(2-hydroxy-3-methoxypropyl)-1-methylindazole-3-carboxamide?
N-(2-hydroxy-3-methoxypropyl)-1-methylindazole-3-carboxamide has a molecular weight of 263.30 g/mol, XLogP of 0.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-3-methoxypropyl)-1-methylindazole-3-carboxamide is sourced from PubChem (CID 103120182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).