2-[3-(hydroxymethyl)piperidin-1-yl]-N-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]acetamide

C24H28N4O2 — CID 112773177

IUPAC2-[3-(hydroxymethyl)piperidin-1-yl]-N-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]acetamide
SMILESCc1ccc(-c2cc(NC(=O)CN3CCCC(CO)C3)n(-c3ccccc3)n2)cc1
InChIInChI=1S/C24H28N4O2/c1-18-9-11-20(12-10-18)22-14-23(28(26-22)21-7-3-2-4-8-21)25-24(30)16-27-13-5-6-19(15-27)17-29/h2-4,7-12,14,19,29H,5-6,13,15-17H2,1H3,(H,25,30)
InChIKeyQNZJANBABKTZPH-UHFFFAOYSA-N
MW404.51 g/mol
LogP3.49
Rot. Bonds6

About 2-[3-(hydroxymethyl)piperidin-1-yl]-N-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]acetamide

2-[3-(hydroxymethyl)piperidin-1-yl]-N-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]acetamide (PubChem CID 112773177) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is 2-[3-(hydroxymethyl)piperidin-1-yl]-N-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]acetamide.

Molecular Properties

Compound Name2-[3-(hydroxymethyl)piperidin-1-yl]-N-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]acetamide
PubChem CID112773177
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Name2-[3-(hydroxymethyl)piperidin-1-yl]-N-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]acetamide
SMILESCc1ccc(-c2cc(NC(=O)CN3CCCC(CO)C3)n(-c3ccccc3)n2)cc1
InChIInChI=1S/C24H28N4O2/c1-18-9-11-20(12-10-18)22-14-23(28(26-22)21-7-3-2-4-8-21)25-24(30)16-27-13-5-6-19(15-27)17-29/h2-4,7-12,14,19,29H,5-6,13,15-17H2,1H3,(H,25,30)
InChIKeyQNZJANBABKTZPH-UHFFFAOYSA-N
XLogP3.49
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[3-(hydroxymethyl)piperidin-1-yl]-N-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 111543790
2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-N-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]acetamide
CID 154749529
1-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-methylpiperidine-4-carboxamide
CID 24568699
(3R)-1-[2-[[3-(2,3-dihydro-1H-inden-5-yl)-1-phenylpyrazol-5-yl]amino]-2-oxoethyl]piperidine-3-carboxamide
CID 41188599
2-(4-hydroxypiperidin-1-yl)-N-[1-phenyl-3-(2,4,5-trimethylphenyl)pyrazol-5-yl]acetamide
CID 18196319
(3S)-1-[2-[[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]amino]-2-oxoethyl]piperidin-1-ium-3-carboxamide
CID 8709741
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(3-tert-butyl-1-phenylpyrazol-5-yl)acetamide
CID 124742746
N-(1,3-diphenylpyrazol-5-yl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 38852056
1-[2-[[3-(2,3-dihydro-1H-inden-5-yl)-1-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 47089990
N-(1,3-diphenylpyrazol-5-yl)-4-methylpentanamide
CID 46087809
[2-[[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]amino]-2-oxoethyl] 3-methylbut-2-enoate
CID 8893423
2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-(4-methylphenyl)acetamide
CID 62372251

Frequently Asked Questions

What is the IUPAC name of 2-[3-(hydroxymethyl)piperidin-1-yl]-N-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]acetamide?
The IUPAC name of 2-[3-(hydroxymethyl)piperidin-1-yl]-N-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]acetamide (CID 112773177) is 2-[3-(hydroxymethyl)piperidin-1-yl]-N-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]acetamide.
What is the SMILES notation for 2-[3-(hydroxymethyl)piperidin-1-yl]-N-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]acetamide?
The canonical SMILES for 2-[3-(hydroxymethyl)piperidin-1-yl]-N-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]acetamide is Cc1ccc(-c2cc(NC(=O)CN3CCCC(CO)C3)n(-c3ccccc3)n2)cc1.
What is the InChIKey of 2-[3-(hydroxymethyl)piperidin-1-yl]-N-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]acetamide?
The InChIKey is QNZJANBABKTZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-18-9-11-20(12-10-18)22-14-23(28(26-22)21-7-3-2-4-8-21)25-24(30)16-27-13-5-6-19(15-27)17-29/h2-4,7-12,14,19,29H,5-6,13,15-17H2,1H3,(H,25,30).
What are the key properties of 2-[3-(hydroxymethyl)piperidin-1-yl]-N-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]acetamide?
2-[3-(hydroxymethyl)piperidin-1-yl]-N-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]acetamide has a molecular weight of 404.51 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(hydroxymethyl)piperidin-1-yl]-N-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]acetamide is sourced from PubChem (CID 112773177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).