N-(2-hydroxy-3-methoxypropyl)-N-methyl-1H-indazole-5-carboxamide

C13H17N3O3 — CID 54993384

IUPACN-(2-hydroxy-3-methoxypropyl)-N-methyl-1H-indazole-5-carboxamide
SMILESCOCC(O)CN(C)C(=O)c1ccc2[nH]ncc2c1
InChIInChI=1S/C13H17N3O3/c1-16(7-11(17)8-19-2)13(18)9-3-4-12-10(5-9)6-14-15-12/h3-6,11,17H,7-8H2,1-2H3,(H,14,15)
InChIKeyBCOMWVQRTRTAKX-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.64
Rot. Bonds5

About N-(2-hydroxy-3-methoxypropyl)-N-methyl-1H-indazole-5-carboxamide

N-(2-hydroxy-3-methoxypropyl)-N-methyl-1H-indazole-5-carboxamide (PubChem CID 54993384) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is N-(2-hydroxy-3-methoxypropyl)-N-methyl-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-3-methoxypropyl)-N-methyl-1H-indazole-5-carboxamide
PubChem CID54993384
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC NameN-(2-hydroxy-3-methoxypropyl)-N-methyl-1H-indazole-5-carboxamide
SMILESCOCC(O)CN(C)C(=O)c1ccc2[nH]ncc2c1
InChIInChI=1S/C13H17N3O3/c1-16(7-11(17)8-19-2)13(18)9-3-4-12-10(5-9)6-14-15-12/h3-6,11,17H,7-8H2,1-2H3,(H,14,15)
InChIKeyBCOMWVQRTRTAKX-UHFFFAOYSA-N
XLogP0.64
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-hydroxy-4-methoxybutyl)-1H-indazole-5-carboxamide
CID 103876908
N-(2-hydroxy-3-methoxypropyl)-N-methylpyrimidine-5-carboxamide
CID 104627104
3-amino-4-fluoro-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzamide
CID 54994745
3,5-dihydroxy-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzamide
CID 103892640
4-(ethylamino)-N-(2-hydroxy-3-methoxypropyl)-N,3-dimethylbenzamide
CID 63213865
N-(2-hydroxyethyl)-N-methyl-1H-indazole-6-carboxamide
CID 60960458
N-(2-hydroxy-4,4-dimethylpentyl)-1H-indazole-5-carboxamide
CID 103719083
N-(3-propan-2-yloxypropyl)-1H-indazole-5-carboxamide
CID 110485437
N-(2-hydroxy-3-methoxypropyl)-N-methyl-3-(2-methylpropanoylamino)benzamide
CID 131947258
N-(2-amino-3-methoxypropyl)-N-methylnaphthalene-2-carboxamide
CID 63754922
N-(2-hydroxy-3-methoxypropyl)-N-methyl-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 111695048
N-methyl-1H-indazole-5-carboxamide
CID 22934041

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3-methoxypropyl)-N-methyl-1H-indazole-5-carboxamide?
The IUPAC name of N-(2-hydroxy-3-methoxypropyl)-N-methyl-1H-indazole-5-carboxamide (CID 54993384) is N-(2-hydroxy-3-methoxypropyl)-N-methyl-1H-indazole-5-carboxamide.
What is the SMILES notation for N-(2-hydroxy-3-methoxypropyl)-N-methyl-1H-indazole-5-carboxamide?
The canonical SMILES for N-(2-hydroxy-3-methoxypropyl)-N-methyl-1H-indazole-5-carboxamide is COCC(O)CN(C)C(=O)c1ccc2[nH]ncc2c1.
What is the InChIKey of N-(2-hydroxy-3-methoxypropyl)-N-methyl-1H-indazole-5-carboxamide?
The InChIKey is BCOMWVQRTRTAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-16(7-11(17)8-19-2)13(18)9-3-4-12-10(5-9)6-14-15-12/h3-6,11,17H,7-8H2,1-2H3,(H,14,15).
What are the key properties of N-(2-hydroxy-3-methoxypropyl)-N-methyl-1H-indazole-5-carboxamide?
N-(2-hydroxy-3-methoxypropyl)-N-methyl-1H-indazole-5-carboxamide has a molecular weight of 263.30 g/mol, XLogP of 0.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-3-methoxypropyl)-N-methyl-1H-indazole-5-carboxamide is sourced from PubChem (CID 54993384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).