2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-N-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]acetamide

C26H33N5O2 — CID 154749529

IUPAC2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-N-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]acetamide
SMILESCCC(CO)N1CCN(CC(=O)Nc2cc(-c3ccc(C)cc3)nn2-c2ccccc2)CC1
InChIInChI=1S/C26H33N5O2/c1-3-22(19-32)30-15-13-29(14-16-30)18-26(33)27-25-17-24(21-11-9-20(2)10-12-21)28-31(25)23-7-5-4-6-8-23/h4-12,17,22,32H,3,13-16,18-19H2,1-2H3,(H,27,33)
InChIKeyHWWSNURDBPQTSQ-UHFFFAOYSA-N
MW447.58 g/mol
LogP3.17
Rot. Bonds8

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

2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-N-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]acetamide (PubChem CID 154749529) has the molecular formula C26H33N5O2 and a molecular weight of 447.58 g/mol. Its IUPAC name is 2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-N-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]acetamide.

Molecular Properties

Compound Name2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-N-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]acetamide
PubChem CID154749529
Molecular FormulaC26H33N5O2
Molecular Weight447.58 g/mol
Exact Mass447.26
IUPAC Name2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-N-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]acetamide
SMILESCCC(CO)N1CCN(CC(=O)Nc2cc(-c3ccc(C)cc3)nn2-c2ccccc2)CC1
InChIInChI=1S/C26H33N5O2/c1-3-22(19-32)30-15-13-29(14-16-30)18-26(33)27-25-17-24(21-11-9-20(2)10-12-21)28-31(25)23-7-5-4-6-8-23/h4-12,17,22,32H,3,13-16,18-19H2,1-2H3,(H,27,33)
InChIKeyHWWSNURDBPQTSQ-UHFFFAOYSA-N
XLogP3.17
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.58
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(hydroxymethyl)piperidin-1-yl]-N-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]acetamide
CID 112773177
1-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-methylpiperidine-4-carboxamide
CID 24568699
N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]acetamide
CID 78817652
N'-(3-methylbutan-2-yl)-N-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]butanediamide
CID 5131615
2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 111489807
ethyl 4-[2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl]piperazine-1-carboxylate
CID 27994543
2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-N-pyridin-4-ylacetamide
CID 111497018
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-(4-hydroxypiperidin-1-yl)-N-[1-phenyl-3-(2,4,5-trimethylphenyl)pyrazol-5-yl]acetamide
CID 18196319
N-(2,3-dimethylphenyl)-2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]acetamide
CID 111489813
N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-ethyl-2-methylpropanamide
CID 1062156

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-N-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]acetamide?
The IUPAC name of 2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-N-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]acetamide (CID 154749529) is 2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-N-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]acetamide.
What is the SMILES notation for 2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-N-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]acetamide?
The canonical SMILES for 2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-N-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]acetamide is CCC(CO)N1CCN(CC(=O)Nc2cc(-c3ccc(C)cc3)nn2-c2ccccc2)CC1.
What is the InChIKey of 2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-N-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]acetamide?
The InChIKey is HWWSNURDBPQTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O2/c1-3-22(19-32)30-15-13-29(14-16-30)18-26(33)27-25-17-24(21-11-9-20(2)10-12-21)28-31(25)23-7-5-4-6-8-23/h4-12,17,22,32H,3,13-16,18-19H2,1-2H3,(H,27,33).
What are the key properties of 2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-N-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]acetamide?
2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-N-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]acetamide has a molecular weight of 447.58 g/mol, XLogP of 3.17, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-N-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]acetamide is sourced from PubChem (CID 154749529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).