N-(2-hydroxy-2-methylpentyl)-5-methyl-1H-pyrazole-4-carboxamide

C11H19N3O2 — CID 103712960

IUPACN-(2-hydroxy-2-methylpentyl)-5-methyl-1H-pyrazole-4-carboxamide
SMILESCCCC(C)(O)CNC(=O)c1cn[nH]c1C
InChIInChI=1S/C11H19N3O2/c1-4-5-11(3,16)7-12-10(15)9-6-13-14-8(9)2/h6,16H,4-5,7H2,1-3H3,(H,12,15)(H,13,14)
InChIKeyMUQDXEXRPQRMNU-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.00
Rot. Bonds5

About N-(2-hydroxy-2-methylpentyl)-5-methyl-1H-pyrazole-4-carboxamide

N-(2-hydroxy-2-methylpentyl)-5-methyl-1H-pyrazole-4-carboxamide (PubChem CID 103712960) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpentyl)-5-methyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpentyl)-5-methyl-1H-pyrazole-4-carboxamide
PubChem CID103712960
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC NameN-(2-hydroxy-2-methylpentyl)-5-methyl-1H-pyrazole-4-carboxamide
SMILESCCCC(C)(O)CNC(=O)c1cn[nH]c1C
InChIInChI=1S/C11H19N3O2/c1-4-5-11(3,16)7-12-10(15)9-6-13-14-8(9)2/h6,16H,4-5,7H2,1-3H3,(H,12,15)(H,13,14)
InChIKeyMUQDXEXRPQRMNU-UHFFFAOYSA-N
XLogP1.00
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-2-methylpropyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 65110977
2-hydroxy-2-methyl-3-[(5-methyl-1H-pyrazole-4-carbonyl)amino]propanoic acid
CID 66174183
N-(4-bromo-2,2-dimethylbutyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 106143708
N-[2-ethyl-2-(hydroxymethyl)butyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 103843692
N-(2-hydroxy-2-methylpentyl)-2-methylbenzamide
CID 113240365
N-(2-hydroxy-2-methylpentyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103718353
5-chloro-N-(2-hydroxy-2-methylpentyl)-2-methylbenzamide
CID 103842862
N-(2-hydroxy-2-methylpentyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 106289954
5-[(2-hydroxy-2-methylpentyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 114169194
N-(2,2-difluoroethyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 79080022
N-(2-bromo-2-cyclopropylethyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 114315935
5-methyl-N-pentan-3-yl-1H-pyrazole-4-carboxamide
CID 63996997

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpentyl)-5-methyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(2-hydroxy-2-methylpentyl)-5-methyl-1H-pyrazole-4-carboxamide (CID 103712960) is N-(2-hydroxy-2-methylpentyl)-5-methyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpentyl)-5-methyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-methylpentyl)-5-methyl-1H-pyrazole-4-carboxamide is CCCC(C)(O)CNC(=O)c1cn[nH]c1C.
What is the InChIKey of N-(2-hydroxy-2-methylpentyl)-5-methyl-1H-pyrazole-4-carboxamide?
The InChIKey is MUQDXEXRPQRMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-4-5-11(3,16)7-12-10(15)9-6-13-14-8(9)2/h6,16H,4-5,7H2,1-3H3,(H,12,15)(H,13,14).
What are the key properties of N-(2-hydroxy-2-methylpentyl)-5-methyl-1H-pyrazole-4-carboxamide?
N-(2-hydroxy-2-methylpentyl)-5-methyl-1H-pyrazole-4-carboxamide has a molecular weight of 225.29 g/mol, XLogP of 1.00, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylpentyl)-5-methyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 103712960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).