N-(3-hydroxy-4-methoxybutyl)-1H-indazole-5-carboxamide

C13H17N3O3 — CID 103876908

IUPACN-(3-hydroxy-4-methoxybutyl)-1H-indazole-5-carboxamide
SMILESCOCC(O)CCNC(=O)c1ccc2[nH]ncc2c1
InChIInChI=1S/C13H17N3O3/c1-19-8-11(17)4-5-14-13(18)9-2-3-12-10(6-9)7-15-16-12/h2-3,6-7,11,17H,4-5,8H2,1H3,(H,14,18)(H,15,16)
InChIKeyBOBGVCKITBNUDC-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.69
Rot. Bonds6

About N-(3-hydroxy-4-methoxybutyl)-1H-indazole-5-carboxamide

N-(3-hydroxy-4-methoxybutyl)-1H-indazole-5-carboxamide (PubChem CID 103876908) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is N-(3-hydroxy-4-methoxybutyl)-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-4-methoxybutyl)-1H-indazole-5-carboxamide
PubChem CID103876908
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC NameN-(3-hydroxy-4-methoxybutyl)-1H-indazole-5-carboxamide
SMILESCOCC(O)CCNC(=O)c1ccc2[nH]ncc2c1
InChIInChI=1S/C13H17N3O3/c1-19-8-11(17)4-5-14-13(18)9-2-3-12-10(6-9)7-15-16-12/h2-3,6-7,11,17H,4-5,8H2,1H3,(H,14,18)(H,15,16)
InChIKeyBOBGVCKITBNUDC-UHFFFAOYSA-N
XLogP0.69
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-hydroxy-4-methoxybutyl)-1H-indole-6-carboxamide
CID 103877617
N-(3-propan-2-yloxypropyl)-1H-indazole-5-carboxamide
CID 110485437
N-(2-hydroxy-3-methoxypropyl)-N-methyl-1H-indazole-5-carboxamide
CID 54993384
3-(1H-indazole-5-carbonylamino)propanoic acid
CID 43354730
N-(2-hydroxy-4,4-dimethylpentyl)-1H-indazole-5-carboxamide
CID 103719083
N-(3-hydroxy-4-methoxybutyl)-6-methoxypyridine-3-carboxamide
CID 103877604
N-(2-phenylethyl)-1H-indazole-5-carboxamide
CID 22933558
N-methyl-1H-indazole-5-carboxamide
CID 22934041
4-fluoro-N-(3-hydroxy-4-methoxybutyl)-3-sulfanylbenzamide
CID 106248577
2-chloro-N-(3-hydroxy-4-methoxybutyl)pyridine-4-carboxamide
CID 103877191
4-amino-3-chloro-N-(3-hydroxy-4-methoxybutyl)benzamide
CID 114162951
4-amino-N-(3-hydroxy-4-methoxybutyl)-3-iodobenzamide
CID 112750978

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-4-methoxybutyl)-1H-indazole-5-carboxamide?
The IUPAC name of N-(3-hydroxy-4-methoxybutyl)-1H-indazole-5-carboxamide (CID 103876908) is N-(3-hydroxy-4-methoxybutyl)-1H-indazole-5-carboxamide.
What is the SMILES notation for N-(3-hydroxy-4-methoxybutyl)-1H-indazole-5-carboxamide?
The canonical SMILES for N-(3-hydroxy-4-methoxybutyl)-1H-indazole-5-carboxamide is COCC(O)CCNC(=O)c1ccc2[nH]ncc2c1.
What is the InChIKey of N-(3-hydroxy-4-methoxybutyl)-1H-indazole-5-carboxamide?
The InChIKey is BOBGVCKITBNUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-19-8-11(17)4-5-14-13(18)9-2-3-12-10(6-9)7-15-16-12/h2-3,6-7,11,17H,4-5,8H2,1H3,(H,14,18)(H,15,16).
What are the key properties of N-(3-hydroxy-4-methoxybutyl)-1H-indazole-5-carboxamide?
N-(3-hydroxy-4-methoxybutyl)-1H-indazole-5-carboxamide has a molecular weight of 263.30 g/mol, XLogP of 0.69, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-4-methoxybutyl)-1H-indazole-5-carboxamide is sourced from PubChem (CID 103876908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).