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

C14H19N3O2 — CID 106166733

IUPACN-(1-hydroxy-3-methylpentan-3-yl)-1H-indazole-6-carboxamide
SMILESCCC(C)(CCO)NC(=O)c1ccc2cn[nH]c2c1
InChIInChI=1S/C14H19N3O2/c1-3-14(2,6-7-18)16-13(19)10-4-5-11-9-15-17-12(11)8-10/h4-5,8-9,18H,3,6-7H2,1-2H3,(H,15,17)(H,16,19)
InChIKeyGLPZERIKUNBICF-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.84
Rot. Bonds5

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

N-(1-hydroxy-3-methylpentan-3-yl)-1H-indazole-6-carboxamide (PubChem CID 106166733) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-(1-hydroxy-3-methylpentan-3-yl)-1H-indazole-6-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-3-methylpentan-3-yl)-1H-indazole-6-carboxamide
PubChem CID106166733
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC NameN-(1-hydroxy-3-methylpentan-3-yl)-1H-indazole-6-carboxamide
SMILESCCC(C)(CCO)NC(=O)c1ccc2cn[nH]c2c1
InChIInChI=1S/C14H19N3O2/c1-3-14(2,6-7-18)16-13(19)10-4-5-11-9-15-17-12(11)8-10/h4-5,8-9,18H,3,6-7H2,1-2H3,(H,15,17)(H,16,19)
InChIKeyGLPZERIKUNBICF-UHFFFAOYSA-N
XLogP1.84
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 ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(hydroxymethyl)pentan-3-yl]-1H-indazole-6-carboxamide
CID 62518655
N-[(3R)-1-hydroxy-3-methylpentan-3-yl]-1H-indole-6-carboxamide
CID 97340429
N-(1-amino-2-methylpropan-2-yl)-1H-indazole-6-carboxamide
CID 63194069
N-[2-ethyl-2-(hydroxymethyl)butyl]-1H-indazole-6-carboxamide
CID 106251304
N-(1-hydroxy-3-methylpentan-3-yl)-3-sulfanylbenzamide
CID 114153832
3,4-difluoro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
CID 113356518
3-hydroxy-N-(1-hydroxy-3-methylpentan-3-yl)-4-methylbenzamide
CID 103958358
4-amino-3-hydroxy-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
CID 106164060
N-(1-hydroxy-3-methylpentan-3-yl)pyridine-4-carboxamide
CID 86783655
4-chloro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
CID 103945880
N-(2-methyl-2-methylsulfanylpropyl)-1H-indazole-6-carboxamide
CID 113246168
N-(2-methoxy-2-methylpropyl)-1H-indazole-6-carboxamide
CID 115665391

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-3-methylpentan-3-yl)-1H-indazole-6-carboxamide?
The IUPAC name of N-(1-hydroxy-3-methylpentan-3-yl)-1H-indazole-6-carboxamide (CID 106166733) is N-(1-hydroxy-3-methylpentan-3-yl)-1H-indazole-6-carboxamide.
What is the SMILES notation for N-(1-hydroxy-3-methylpentan-3-yl)-1H-indazole-6-carboxamide?
The canonical SMILES for N-(1-hydroxy-3-methylpentan-3-yl)-1H-indazole-6-carboxamide is CCC(C)(CCO)NC(=O)c1ccc2cn[nH]c2c1.
What is the InChIKey of N-(1-hydroxy-3-methylpentan-3-yl)-1H-indazole-6-carboxamide?
The InChIKey is GLPZERIKUNBICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-3-14(2,6-7-18)16-13(19)10-4-5-11-9-15-17-12(11)8-10/h4-5,8-9,18H,3,6-7H2,1-2H3,(H,15,17)(H,16,19).
What are the key properties of N-(1-hydroxy-3-methylpentan-3-yl)-1H-indazole-6-carboxamide?
N-(1-hydroxy-3-methylpentan-3-yl)-1H-indazole-6-carboxamide has a molecular weight of 261.32 g/mol, XLogP of 1.84, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-3-methylpentan-3-yl)-1H-indazole-6-carboxamide is sourced from PubChem (CID 106166733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).