2-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide

C16H29N5O2 — CID 56802237

IUPAC2-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
SMILESCC(O)CN1CCN(CC(=O)Nc2ccnn2C(C)C)CC1C
InChIInChI=1S/C16H29N5O2/c1-12(2)21-15(5-6-17-21)18-16(23)11-19-7-8-20(10-14(4)22)13(3)9-19/h5-6,12-14,22H,7-11H2,1-4H3,(H,18,23)
InChIKeyAAUQDUXGJIUYRA-UHFFFAOYSA-N
MW323.44 g/mol
LogP0.79
Rot. Bonds6

About 2-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide

2-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide (PubChem CID 56802237) has the molecular formula C16H29N5O2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 2-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
PubChem CID56802237
Molecular FormulaC16H29N5O2
Molecular Weight323.44 g/mol
Exact Mass323.23
IUPAC Name2-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
SMILESCC(O)CN1CCN(CC(=O)Nc2ccnn2C(C)C)CC1C
InChIInChI=1S/C16H29N5O2/c1-12(2)21-15(5-6-17-21)18-16(23)11-19-7-8-20(10-14(4)22)13(3)9-19/h5-6,12-14,22H,7-11H2,1-4H3,(H,18,23)
InChIKeyAAUQDUXGJIUYRA-UHFFFAOYSA-N
XLogP0.79
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-acetyl-1,4-diazepan-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 45800016
N-(2-cyclopentylpyrazol-3-yl)-3-(4-hydroxypiperidin-1-yl)propanamide
CID 45863068
2-(4-cyclopentyl-3-oxopiperazin-1-yl)-N-(1-methylpyrazol-3-yl)acetamide
CID 46981191
2-[4-(2-methoxyethyl)piperazin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 53532059
2-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 53568890
2-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]-N-(2-propylpyrazol-3-yl)acetamide
CID 53571107
2-[4-(2-ethoxyethyl)piperazin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 53590617
2-[4-(3-methoxypropyl)-1,4-diazepan-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 71925322
2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(2-propylpyrazol-3-yl)acetamide
CID 71999994
N-[2-(2-methylpropyl)pyrazol-3-yl]-2-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]acetamide
CID 72043920
2-(3,5-dimethylpiperidin-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 16294137
N-(1-isopropyl-5-pyrazolyl)aminoacetamide
CID 60718943

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide?
The IUPAC name of 2-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide (CID 56802237) is 2-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide is CC(O)CN1CCN(CC(=O)Nc2ccnn2C(C)C)CC1C.
What is the InChIKey of 2-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide?
The InChIKey is AAUQDUXGJIUYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5O2/c1-12(2)21-15(5-6-17-21)18-16(23)11-19-7-8-20(10-14(4)22)13(3)9-19/h5-6,12-14,22H,7-11H2,1-4H3,(H,18,23).
What are the key properties of 2-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide?
2-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide has a molecular weight of 323.44 g/mol, XLogP of 0.79, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide is sourced from PubChem (CID 56802237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).