N-(2-hydroxy-2,3-dimethylbutyl)-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide

C17H25N3O2 — CID 111484572

IUPACN-(2-hydroxy-2,3-dimethylbutyl)-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide
SMILESCC1=NN(c2ccc(C(=O)NCC(C)(O)C(C)C)cc2)CC1
InChIInChI=1S/C17H25N3O2/c1-12(2)17(4,22)11-18-16(21)14-5-7-15(8-6-14)20-10-9-13(3)19-20/h5-8,12,22H,9-11H2,1-4H3,(H,18,21)
InChIKeyQOFYCECDYQVSGB-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.41
Rot. Bonds5

About N-(2-hydroxy-2,3-dimethylbutyl)-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide

N-(2-hydroxy-2,3-dimethylbutyl)-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide (PubChem CID 111484572) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is N-(2-hydroxy-2,3-dimethylbutyl)-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide.

Molecular Properties

Compound NameN-(2-hydroxy-2,3-dimethylbutyl)-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide
PubChem CID111484572
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC NameN-(2-hydroxy-2,3-dimethylbutyl)-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide
SMILESCC1=NN(c2ccc(C(=O)NCC(C)(O)C(C)C)cc2)CC1
InChIInChI=1S/C17H25N3O2/c1-12(2)17(4,22)11-18-16(21)14-5-7-15(8-6-14)20-10-9-13(3)19-20/h5-8,12,22H,9-11H2,1-4H3,(H,18,21)
InChIKeyQOFYCECDYQVSGB-UHFFFAOYSA-N
XLogP2.41
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-(2-methylsulfanylethyl)benzamide
CID 167958148
N-(cyclobutylmethyl)-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide
CID 47234524
N-(2-hydroxy-2,3-dimethylbutyl)-4-(4-methylpyrazol-1-yl)benzamide
CID 111484297
ethyl (2R)-2-[[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]amino]propanoate
CID 94779819
(2S)-4-methyl-2-[[2-[[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]amino]acetyl]amino]pentanoic acid
CID 120695407
4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 87041675
methyl (2R)-2-methyl-2-[[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]amino]butanoate
CID 95154683
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide
CID 55699746
N-[(2S)-2-methoxy-2-phenylethyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide
CID 94650817
N-(2-hydroxy-2,3-dimethylbutyl)benzamide
CID 111484208
N-[3-(2-methoxyethylamino)-3-oxopropyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide
CID 51092478
4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[2-(pyrazin-2-ylamino)ethyl]benzamide
CID 47054980

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2,3-dimethylbutyl)-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide?
The IUPAC name of N-(2-hydroxy-2,3-dimethylbutyl)-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide (CID 111484572) is N-(2-hydroxy-2,3-dimethylbutyl)-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide.
What is the SMILES notation for N-(2-hydroxy-2,3-dimethylbutyl)-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide?
The canonical SMILES for N-(2-hydroxy-2,3-dimethylbutyl)-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide is CC1=NN(c2ccc(C(=O)NCC(C)(O)C(C)C)cc2)CC1.
What is the InChIKey of N-(2-hydroxy-2,3-dimethylbutyl)-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide?
The InChIKey is QOFYCECDYQVSGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-12(2)17(4,22)11-18-16(21)14-5-7-15(8-6-14)20-10-9-13(3)19-20/h5-8,12,22H,9-11H2,1-4H3,(H,18,21).
What are the key properties of N-(2-hydroxy-2,3-dimethylbutyl)-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide?
N-(2-hydroxy-2,3-dimethylbutyl)-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide has a molecular weight of 303.41 g/mol, XLogP of 2.41, 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-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide is sourced from PubChem (CID 111484572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).