N-(3-hydroxy-4-methylpentyl)-2-(4-pyrazol-1-ylphenyl)acetamide

C17H23N3O2 — CID 111461001

IUPACN-(3-hydroxy-4-methylpentyl)-2-(4-pyrazol-1-ylphenyl)acetamide
SMILESCC(C)C(O)CCNC(=O)Cc1ccc(-n2cccn2)cc1
InChIInChI=1S/C17H23N3O2/c1-13(2)16(21)8-10-18-17(22)12-14-4-6-15(7-5-14)20-11-3-9-19-20/h3-7,9,11,13,16,21H,8,10,12H2,1-2H3,(H,18,22)
InChIKeyHFYJPBVENCQSNN-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.94
Rot. Bonds7

About N-(3-hydroxy-4-methylpentyl)-2-(4-pyrazol-1-ylphenyl)acetamide

N-(3-hydroxy-4-methylpentyl)-2-(4-pyrazol-1-ylphenyl)acetamide (PubChem CID 111461001) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-(3-hydroxy-4-methylpentyl)-2-(4-pyrazol-1-ylphenyl)acetamide.

Molecular Properties

Compound NameN-(3-hydroxy-4-methylpentyl)-2-(4-pyrazol-1-ylphenyl)acetamide
PubChem CID111461001
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC NameN-(3-hydroxy-4-methylpentyl)-2-(4-pyrazol-1-ylphenyl)acetamide
SMILESCC(C)C(O)CCNC(=O)Cc1ccc(-n2cccn2)cc1
InChIInChI=1S/C17H23N3O2/c1-13(2)16(21)8-10-18-17(22)12-14-4-6-15(7-5-14)20-11-3-9-19-20/h3-7,9,11,13,16,21H,8,10,12H2,1-2H3,(H,18,22)
InChIKeyHFYJPBVENCQSNN-UHFFFAOYSA-N
XLogP1.94
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-pyrazol-1-ylphenyl)propan-2-ol
CID 83675061
2,2-dimethyl-3-[[2-(4-pyrazol-1-ylphenyl)acetyl]amino]propanoic acid
CID 131962236
N-(2,6-diethylphenyl)-2-(4-pyrazol-1-ylphenyl)acetamide
CID 86997630
N-(3-piperazin-1-ylpropyl)-2-(4-pyrazol-1-ylphenyl)acetamide
CID 119392944
N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-2-(4-pyrazol-1-ylphenyl)acetamide
CID 51947693
N-(3-hydroxy-4-methylpentyl)-2-(2-oxo-1-pyridinyl)acetamide
CID 111460901
2-(2-chlorophenyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide
CID 30525810
2-(4-pyrazol-1-ylphenyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]acetamide
CID 86990308
N-propan-2-yl-2-[(4-pyrazol-1-ylphenyl)methylamino]acetamide
CID 43232183
N-(3-hydroxy-4-methylpentyl)-2-(2-hydroxyphenyl)acetamide
CID 111662196
N-[2-[(1S,2S)-2-methylcyclohexyl]oxyethyl]-2-(4-pyrazol-1-ylphenyl)acetamide
CID 51948680
(2R)-N-[4-[[2-(4-pyrazol-1-ylphenyl)acetyl]amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 51948969

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-4-methylpentyl)-2-(4-pyrazol-1-ylphenyl)acetamide?
The IUPAC name of N-(3-hydroxy-4-methylpentyl)-2-(4-pyrazol-1-ylphenyl)acetamide (CID 111461001) is N-(3-hydroxy-4-methylpentyl)-2-(4-pyrazol-1-ylphenyl)acetamide.
What is the SMILES notation for N-(3-hydroxy-4-methylpentyl)-2-(4-pyrazol-1-ylphenyl)acetamide?
The canonical SMILES for N-(3-hydroxy-4-methylpentyl)-2-(4-pyrazol-1-ylphenyl)acetamide is CC(C)C(O)CCNC(=O)Cc1ccc(-n2cccn2)cc1.
What is the InChIKey of N-(3-hydroxy-4-methylpentyl)-2-(4-pyrazol-1-ylphenyl)acetamide?
The InChIKey is HFYJPBVENCQSNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-13(2)16(21)8-10-18-17(22)12-14-4-6-15(7-5-14)20-11-3-9-19-20/h3-7,9,11,13,16,21H,8,10,12H2,1-2H3,(H,18,22).
What are the key properties of N-(3-hydroxy-4-methylpentyl)-2-(4-pyrazol-1-ylphenyl)acetamide?
N-(3-hydroxy-4-methylpentyl)-2-(4-pyrazol-1-ylphenyl)acetamide has a molecular weight of 301.39 g/mol, XLogP of 1.94, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-4-methylpentyl)-2-(4-pyrazol-1-ylphenyl)acetamide is sourced from PubChem (CID 111461001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).