N-(2-hydroxy-2,3-dimethylbutyl)-4-(4-methylpyrazol-1-yl)benzamide

C17H23N3O2 — CID 111484297

IUPACN-(2-hydroxy-2,3-dimethylbutyl)-4-(4-methylpyrazol-1-yl)benzamide
SMILESCc1cnn(-c2ccc(C(=O)NCC(C)(O)C(C)C)cc2)c1
InChIInChI=1S/C17H23N3O2/c1-12(2)17(4,22)11-18-16(21)14-5-7-15(8-6-14)20-10-13(3)9-19-20/h5-10,12,22H,11H2,1-4H3,(H,18,21)
InChIKeyRZPWDYXGNPMXCG-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.32
Rot. Bonds5

About N-(2-hydroxy-2,3-dimethylbutyl)-4-(4-methylpyrazol-1-yl)benzamide

N-(2-hydroxy-2,3-dimethylbutyl)-4-(4-methylpyrazol-1-yl)benzamide (PubChem CID 111484297) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-(2-hydroxy-2,3-dimethylbutyl)-4-(4-methylpyrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(2-hydroxy-2,3-dimethylbutyl)-4-(4-methylpyrazol-1-yl)benzamide
PubChem CID111484297
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC NameN-(2-hydroxy-2,3-dimethylbutyl)-4-(4-methylpyrazol-1-yl)benzamide
SMILESCc1cnn(-c2ccc(C(=O)NCC(C)(O)C(C)C)cc2)c1
InChIInChI=1S/C17H23N3O2/c1-12(2)17(4,22)11-18-16(21)14-5-7-15(8-6-14)20-10-13(3)9-19-20/h5-10,12,22H,11H2,1-4H3,(H,18,21)
InChIKeyRZPWDYXGNPMXCG-UHFFFAOYSA-N
XLogP2.32
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-2,3-dimethylpentyl)-4-(4-methylpyrazol-1-yl)benzamide
CID 111446448
N-(2-amino-2-ethylbutyl)-4-(4-methylpyrazol-1-yl)benzamide;hydrochloride
CID 119641088
N-(2-hydroxy-2,3-dimethylbutyl)-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide
CID 111484572
1-ethyl-N-(2-hydroxy-2,3-dimethylbutyl)pyrazole-4-carboxamide
CID 111484338
N-(2-hydroxy-2,3-dimethylbutyl)benzamide
CID 111484208
N-(1-amino-4-methylpentan-2-yl)-4-(4-methylpyrazol-1-yl)benzamide
CID 119586560
N-(2-methylpropyl)-2-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]benzamide
CID 55772351
N-[3-(aminomethyl)pentan-3-yl]-4-(4-methylpyrazol-1-yl)benzamide;hydrochloride
CID 119569798
N-[2-(cycloheptylamino)ethyl]-4-(4-methylpyrazol-1-yl)benzamide
CID 119619945
N-(2-hydroxy-2,3-dimethylbutyl)-4-[(2-methylpropan-2-yl)oxy]benzamide
CID 111859470
2-amino-1-[4-(4-methylpyrazol-1-yl)phenyl]ethanone
CID 82393844
1-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]cycloheptane-1-carboxylic acid
CID 120538733

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2,3-dimethylbutyl)-4-(4-methylpyrazol-1-yl)benzamide?
The IUPAC name of N-(2-hydroxy-2,3-dimethylbutyl)-4-(4-methylpyrazol-1-yl)benzamide (CID 111484297) is N-(2-hydroxy-2,3-dimethylbutyl)-4-(4-methylpyrazol-1-yl)benzamide.
What is the SMILES notation for N-(2-hydroxy-2,3-dimethylbutyl)-4-(4-methylpyrazol-1-yl)benzamide?
The canonical SMILES for N-(2-hydroxy-2,3-dimethylbutyl)-4-(4-methylpyrazol-1-yl)benzamide is Cc1cnn(-c2ccc(C(=O)NCC(C)(O)C(C)C)cc2)c1.
What is the InChIKey of N-(2-hydroxy-2,3-dimethylbutyl)-4-(4-methylpyrazol-1-yl)benzamide?
The InChIKey is RZPWDYXGNPMXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-12(2)17(4,22)11-18-16(21)14-5-7-15(8-6-14)20-10-13(3)9-19-20/h5-10,12,22H,11H2,1-4H3,(H,18,21).
What are the key properties of N-(2-hydroxy-2,3-dimethylbutyl)-4-(4-methylpyrazol-1-yl)benzamide?
N-(2-hydroxy-2,3-dimethylbutyl)-4-(4-methylpyrazol-1-yl)benzamide has a molecular weight of 301.39 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2,3-dimethylbutyl)-4-(4-methylpyrazol-1-yl)benzamide is sourced from PubChem (CID 111484297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).