1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-5-oxopiperazine-2-carboxylic acid

C12H16N4O4 — CID 107432921

IUPAC1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-5-oxopiperazine-2-carboxylic acid
SMILESCc1n[nH]c(C)c1CC(=O)N1CC(=O)NCC1C(=O)O
InChIInChI=1S/C12H16N4O4/c1-6-8(7(2)15-14-6)3-11(18)16-5-10(17)13-4-9(16)12(19)20/h9H,3-5H2,1-2H3,(H,13,17)(H,14,15)(H,19,20)
InChIKeyCPBUMSSLLNJLNW-UHFFFAOYSA-N
MW280.28 g/mol
LogP-1.02
Rot. Bonds3

About 1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-5-oxopiperazine-2-carboxylic acid

1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-5-oxopiperazine-2-carboxylic acid (PubChem CID 107432921) has the molecular formula C12H16N4O4 and a molecular weight of 280.28 g/mol. Its IUPAC name is 1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-5-oxopiperazine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-5-oxopiperazine-2-carboxylic acid
PubChem CID107432921
Molecular FormulaC12H16N4O4
Molecular Weight280.28 g/mol
Exact Mass280.12
IUPAC Name1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-5-oxopiperazine-2-carboxylic acid
SMILESCc1n[nH]c(C)c1CC(=O)N1CC(=O)NCC1C(=O)O
InChIInChI=1S/C12H16N4O4/c1-6-8(7(2)15-14-6)3-11(18)16-5-10(17)13-4-9(16)12(19)20/h9H,3-5H2,1-2H3,(H,13,17)(H,14,15)(H,19,20)
InChIKeyCPBUMSSLLNJLNW-UHFFFAOYSA-N
XLogP-1.02
TPSA115.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 5-1.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 43359724
1-octanoyl-5-oxopiperazine-2-carboxylic acid
CID 107432834
3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63791600
1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-4-ethylpiperidine-2-carboxylic acid
CID 114427118
1-(5-methyl-1H-1,2,4-triazole-3-carbonyl)-5-oxopiperazine-2-carboxylic acid
CID 107432808
5-oxo-1-(2-propan-2-ylsulfanylacetyl)piperazine-2-carboxylic acid
CID 107432944
5-oxo-1-(2-pyridin-4-ylsulfanylacetyl)piperazine-2-carboxylic acid
CID 107432749
(3S,4S)-1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-4-methylpyrrolidine-3-carboxylic acid
CID 98533468
5-oxo-1-(2H-triazole-4-carbonyl)piperazine-2-carboxylic acid
CID 107433380
1-[2-(4-fluorophenoxy)acetyl]-5-oxopiperazine-2-carboxylic acid
CID 107433138
1-(cyclopropanecarbonyl)-5-oxopiperazine-2-carboxylic acid
CID 107432929
1-[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetyl]-5-oxopiperazine-2-carboxylic acid
CID 107432868

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-5-oxopiperazine-2-carboxylic acid?
The IUPAC name of 1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-5-oxopiperazine-2-carboxylic acid (CID 107432921) is 1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-5-oxopiperazine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-5-oxopiperazine-2-carboxylic acid?
The canonical SMILES for 1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-5-oxopiperazine-2-carboxylic acid is Cc1n[nH]c(C)c1CC(=O)N1CC(=O)NCC1C(=O)O.
What is the InChIKey of 1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-5-oxopiperazine-2-carboxylic acid?
The InChIKey is CPBUMSSLLNJLNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O4/c1-6-8(7(2)15-14-6)3-11(18)16-5-10(17)13-4-9(16)12(19)20/h9H,3-5H2,1-2H3,(H,13,17)(H,14,15)(H,19,20).
What are the key properties of 1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-5-oxopiperazine-2-carboxylic acid?
1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-5-oxopiperazine-2-carboxylic acid has a molecular weight of 280.28 g/mol, XLogP of -1.02, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-5-oxopiperazine-2-carboxylic acid is sourced from PubChem (CID 107432921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).