N-[2-hydroxy-3-(2-methylpropoxy)propyl]-3-pyrazol-1-ylbenzamide

C17H23N3O3 — CID 111697672

IUPACN-[2-hydroxy-3-(2-methylpropoxy)propyl]-3-pyrazol-1-ylbenzamide
SMILESCC(C)COCC(O)CNC(=O)c1cccc(-n2cccn2)c1
InChIInChI=1S/C17H23N3O3/c1-13(2)11-23-12-16(21)10-18-17(22)14-5-3-6-15(9-14)20-8-4-7-19-20/h3-9,13,16,21H,10-12H2,1-2H3,(H,18,22)
InChIKeyKRKZTZZSJRIZAY-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.64
Rot. Bonds8

About N-[2-hydroxy-3-(2-methylpropoxy)propyl]-3-pyrazol-1-ylbenzamide

N-[2-hydroxy-3-(2-methylpropoxy)propyl]-3-pyrazol-1-ylbenzamide (PubChem CID 111697672) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-[2-hydroxy-3-(2-methylpropoxy)propyl]-3-pyrazol-1-ylbenzamide.

Molecular Properties

Compound NameN-[2-hydroxy-3-(2-methylpropoxy)propyl]-3-pyrazol-1-ylbenzamide
PubChem CID111697672
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC NameN-[2-hydroxy-3-(2-methylpropoxy)propyl]-3-pyrazol-1-ylbenzamide
SMILESCC(C)COCC(O)CNC(=O)c1cccc(-n2cccn2)c1
InChIInChI=1S/C17H23N3O3/c1-13(2)11-23-12-16(21)10-18-17(22)14-5-3-6-15(9-14)20-8-4-7-19-20/h3-9,13,16,21H,10-12H2,1-2H3,(H,18,22)
InChIKeyKRKZTZZSJRIZAY-UHFFFAOYSA-N
XLogP1.64
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-pyrazol-1-ylbenzamide
CID 111423679
N-benzyl-3-pyrazol-1-ylbenzamide
CID 110698131
3-pyrazol-1-yl-N-[2-(2-pyrazol-1-ylethoxy)ethyl]benzamide
CID 122246749
N-[(2R)-2-hydroxy-4,4-dimethylpentyl]-3-(triazol-1-yl)benzamide
CID 99816184
N-[2-(4-methoxyphenyl)ethyl]-3-pyrazol-1-ylbenzamide
CID 110698153
N-[(2S)-2-hydroxy-4,4-dimethylpentyl]-3-(triazol-1-yl)benzamide
CID 99816183
N-[(4-chlorophenyl)methyl]-3-pyrazol-1-ylbenzamide
CID 110698140
4-bromo-3-fluoro-N-[2-hydroxy-3-(2-methylpropoxy)propyl]benzamide
CID 111697663
N-[(6-methylpyrimidin-4-yl)methyl]-3-pyrazol-1-ylbenzamide
CID 122263530
N-[2-(hydroxymethyl)-3-thiophen-3-ylpropyl]-3-pyrazol-1-ylbenzamide
CID 70769503
N-(3-hydroxy-2-methylpropyl)-4-pyrazol-1-ylbenzamide
CID 65031869
N-[2-hydroxy-3-(2-methylpropoxy)propyl]thiophene-3-carboxamide
CID 111662690

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-3-(2-methylpropoxy)propyl]-3-pyrazol-1-ylbenzamide?
The IUPAC name of N-[2-hydroxy-3-(2-methylpropoxy)propyl]-3-pyrazol-1-ylbenzamide (CID 111697672) is N-[2-hydroxy-3-(2-methylpropoxy)propyl]-3-pyrazol-1-ylbenzamide.
What is the SMILES notation for N-[2-hydroxy-3-(2-methylpropoxy)propyl]-3-pyrazol-1-ylbenzamide?
The canonical SMILES for N-[2-hydroxy-3-(2-methylpropoxy)propyl]-3-pyrazol-1-ylbenzamide is CC(C)COCC(O)CNC(=O)c1cccc(-n2cccn2)c1.
What is the InChIKey of N-[2-hydroxy-3-(2-methylpropoxy)propyl]-3-pyrazol-1-ylbenzamide?
The InChIKey is KRKZTZZSJRIZAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-13(2)11-23-12-16(21)10-18-17(22)14-5-3-6-15(9-14)20-8-4-7-19-20/h3-9,13,16,21H,10-12H2,1-2H3,(H,18,22).
What are the key properties of N-[2-hydroxy-3-(2-methylpropoxy)propyl]-3-pyrazol-1-ylbenzamide?
N-[2-hydroxy-3-(2-methylpropoxy)propyl]-3-pyrazol-1-ylbenzamide has a molecular weight of 317.39 g/mol, XLogP of 1.64, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-3-(2-methylpropoxy)propyl]-3-pyrazol-1-ylbenzamide is sourced from PubChem (CID 111697672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).