N-(1-hydroxy-4-methylpentan-3-yl)-1H-indazole-6-carboxamide

C14H19N3O2 — CID 106352905

IUPACN-(1-hydroxy-4-methylpentan-3-yl)-1H-indazole-6-carboxamide
SMILESCC(C)C(CCO)NC(=O)c1ccc2cn[nH]c2c1
InChIInChI=1S/C14H19N3O2/c1-9(2)12(5-6-18)16-14(19)10-3-4-11-8-15-17-13(11)7-10/h3-4,7-9,12,18H,5-6H2,1-2H3,(H,15,17)(H,16,19)
InChIKeyQMDSBSXJECPRMX-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.70
Rot. Bonds5

About N-(1-hydroxy-4-methylpentan-3-yl)-1H-indazole-6-carboxamide

N-(1-hydroxy-4-methylpentan-3-yl)-1H-indazole-6-carboxamide (PubChem CID 106352905) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-(1-hydroxy-4-methylpentan-3-yl)-1H-indazole-6-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-4-methylpentan-3-yl)-1H-indazole-6-carboxamide
PubChem CID106352905
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC NameN-(1-hydroxy-4-methylpentan-3-yl)-1H-indazole-6-carboxamide
SMILESCC(C)C(CCO)NC(=O)c1ccc2cn[nH]c2c1
InChIInChI=1S/C14H19N3O2/c1-9(2)12(5-6-18)16-14(19)10-3-4-11-8-15-17-13(11)7-10/h3-4,7-9,12,18H,5-6H2,1-2H3,(H,15,17)(H,16,19)
InChIKeyQMDSBSXJECPRMX-UHFFFAOYSA-N
XLogP1.70
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylbutan-2-yl)-1H-indazole-6-carboxamide
CID 55023710
(2R)-2-(1H-indazole-6-carbonylamino)propanoic acid
CID 51888645
(2R)-3-hydroxy-2-(1H-indazole-6-carbonylamino)propanoic acid
CID 80751119
(2S)-2-(1H-indazole-6-carbonylamino)-4-methylpentanoic acid
CID 61154648
N-(3-aminobutyl)-1H-indazole-6-carboxamide
CID 63253437
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1H-indazole-6-carboxamide
CID 106156100
N-(1-hydroxy-4-methylpentan-3-yl)-3H-benzimidazole-5-carboxamide
CID 103852402
N-(1-phenylpropan-2-yl)-1H-indazole-6-carboxamide
CID 63010618
N-(1-aminobutan-2-yl)-1H-indazole-6-carboxamide
CID 65193937
N-(1-amino-4-methylpentan-2-yl)-1H-indazole-6-carboxamide
CID 63888929
3,4-difluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide
CID 113254979
N-[1-(2-fluorophenyl)ethyl]-1H-indazole-6-carboxamide
CID 60715178

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-4-methylpentan-3-yl)-1H-indazole-6-carboxamide?
The IUPAC name of N-(1-hydroxy-4-methylpentan-3-yl)-1H-indazole-6-carboxamide (CID 106352905) is N-(1-hydroxy-4-methylpentan-3-yl)-1H-indazole-6-carboxamide.
What is the SMILES notation for N-(1-hydroxy-4-methylpentan-3-yl)-1H-indazole-6-carboxamide?
The canonical SMILES for N-(1-hydroxy-4-methylpentan-3-yl)-1H-indazole-6-carboxamide is CC(C)C(CCO)NC(=O)c1ccc2cn[nH]c2c1.
What is the InChIKey of N-(1-hydroxy-4-methylpentan-3-yl)-1H-indazole-6-carboxamide?
The InChIKey is QMDSBSXJECPRMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-9(2)12(5-6-18)16-14(19)10-3-4-11-8-15-17-13(11)7-10/h3-4,7-9,12,18H,5-6H2,1-2H3,(H,15,17)(H,16,19).
What are the key properties of N-(1-hydroxy-4-methylpentan-3-yl)-1H-indazole-6-carboxamide?
N-(1-hydroxy-4-methylpentan-3-yl)-1H-indazole-6-carboxamide has a molecular weight of 261.32 g/mol, XLogP of 1.70, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-4-methylpentan-3-yl)-1H-indazole-6-carboxamide is sourced from PubChem (CID 106352905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).