N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-N-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

C14H23N3O3 — CID 110026262

IUPACN-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-N-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESCN(CC(C)(CO)CO)C(=O)c1n[nH]c2c1CCCC2
InChIInChI=1S/C14H23N3O3/c1-14(8-18,9-19)7-17(2)13(20)12-10-5-3-4-6-11(10)15-16-12/h18-19H,3-9H2,1-2H3,(H,15,16)
InChIKeyIQGGAAXSOTYWTB-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.35
Rot. Bonds5

About N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-N-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-N-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (PubChem CID 110026262) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-N-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-N-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
PubChem CID110026262
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC NameN-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-N-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESCN(CC(C)(CO)CO)C(=O)c1n[nH]c2c1CCCC2
InChIInChI=1S/C14H23N3O3/c1-14(8-18,9-19)7-17(2)13(20)12-10-5-3-4-6-11(10)15-16-12/h18-19H,3-9H2,1-2H3,(H,15,16)
InChIKeyIQGGAAXSOTYWTB-UHFFFAOYSA-N
XLogP0.35
TPSA89.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-N-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butyl-N-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 110388870
N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carboxamide
CID 165425789
N-(3-amino-4-methylpentyl)-N-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide;hydrochloride
CID 119657524
N-(2-hydroxyethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 110888333
N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 119073687
N-(2-amino-2-methylpropyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide;hydrochloride
CID 119625986
N-(2-ethyl-2-hydroxybutyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 111483509
N-methyl-N-phenyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 110388880
3-[(3-hydroxy-2,2-dimethylpropyl)-methylcarbamoyl]-6-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid
CID 146625547
N-methyl-N-[[(3R)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 124853333
N-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]-N-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 164628411
N-[2-(dimethylsulfamoyl)ethyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 119074036

Frequently Asked Questions

What is the IUPAC name of N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-N-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The IUPAC name of N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-N-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (CID 110026262) is N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-N-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-N-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The canonical SMILES for N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-N-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is CN(CC(C)(CO)CO)C(=O)c1n[nH]c2c1CCCC2.
What is the InChIKey of N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-N-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The InChIKey is IQGGAAXSOTYWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-14(8-18,9-19)7-17(2)13(20)12-10-5-3-4-6-11(10)15-16-12/h18-19H,3-9H2,1-2H3,(H,15,16).
What are the key properties of N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-N-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-N-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide has a molecular weight of 281.36 g/mol, XLogP of 0.35, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-N-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 110026262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).