2-(4-acetylpiperazin-1-ium-1-yl)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide

C19H26N5O2+ — CID 8904097

IUPAC2-(4-acetylpiperazin-1-ium-1-yl)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
SMILESCC(=O)N1CC[NH+](CC(=O)Nc2c(C)nn(-c3ccccc3)c2C)CC1
InChIInChI=1S/C19H25N5O2/c1-14-19(15(2)24(21-14)17-7-5-4-6-8-17)20-18(26)13-22-9-11-23(12-10-22)16(3)25/h4-8H,9-13H2,1-3H3,(H,20,26)/p+1
InChIKeyHXPYETBYVRWDRH-UHFFFAOYSA-O
MW356.45 g/mol
LogP0.17
Rot. Bonds4

About 2-(4-acetylpiperazin-1-ium-1-yl)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide

2-(4-acetylpiperazin-1-ium-1-yl)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide (PubChem CID 8904097) has the molecular formula C19H26N5O2+ and a molecular weight of 356.45 g/mol. Its IUPAC name is 2-(4-acetylpiperazin-1-ium-1-yl)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(4-acetylpiperazin-1-ium-1-yl)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
PubChem CID8904097
Molecular FormulaC19H26N5O2+
Molecular Weight356.45 g/mol
Exact Mass356.21
IUPAC Name2-(4-acetylpiperazin-1-ium-1-yl)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
SMILESCC(=O)N1CC[NH+](CC(=O)Nc2c(C)nn(-c3ccccc3)c2C)CC1
InChIInChI=1S/C19H25N5O2/c1-14-19(15(2)24(21-14)17-7-5-4-6-8-17)20-18(26)13-22-9-11-23(12-10-22)16(3)25/h4-8H,9-13H2,1-3H3,(H,20,26)/p+1
InChIKeyHXPYETBYVRWDRH-UHFFFAOYSA-O
XLogP0.17
TPSA71.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetamide
CID 8004774
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]acetamide
CID 9206828
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide
CID 8903337
2-(4-acetylpiperazin-1-ium-1-yl)-N-phenylacetamide
CID 8904289
N-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]-2-methylbenzamide
CID 51275540
[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]-[(1R)-1-phenylethyl]azanium
CID 8897851
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-phenylsulfanylacetamide
CID 78762299
2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 8692694
N-(2,6-diethylphenyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide
CID 6985943
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(4-ethylphenyl)acetamide
CID 99632483
[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium
CID 9132476
2-(4-acetylpiperazin-1-ium-1-yl)-N-(2-fluorophenyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylpiperazin-1-ium-1-yl)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide?
The IUPAC name of 2-(4-acetylpiperazin-1-ium-1-yl)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide (CID 8904097) is 2-(4-acetylpiperazin-1-ium-1-yl)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-(4-acetylpiperazin-1-ium-1-yl)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-(4-acetylpiperazin-1-ium-1-yl)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide is CC(=O)N1CC[NH+](CC(=O)Nc2c(C)nn(-c3ccccc3)c2C)CC1.
What is the InChIKey of 2-(4-acetylpiperazin-1-ium-1-yl)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide?
The InChIKey is HXPYETBYVRWDRH-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H25N5O2/c1-14-19(15(2)24(21-14)17-7-5-4-6-8-17)20-18(26)13-22-9-11-23(12-10-22)16(3)25/h4-8H,9-13H2,1-3H3,(H,20,26)/p+1.
What are the key properties of 2-(4-acetylpiperazin-1-ium-1-yl)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide?
2-(4-acetylpiperazin-1-ium-1-yl)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide has a molecular weight of 356.45 g/mol, XLogP of 0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylpiperazin-1-ium-1-yl)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide is sourced from PubChem (CID 8904097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).