1,3-dimethyl-5-(2-methyl-3-oxopiperazin-1-yl)pyrazole-4-carboxylic acid

C11H16N4O3 — CID 63607319

IUPAC1,3-dimethyl-5-(2-methyl-3-oxopiperazin-1-yl)pyrazole-4-carboxylic acid
SMILESCc1nn(C)c(N2CCNC(=O)C2C)c1C(=O)O
InChIInChI=1S/C11H16N4O3/c1-6-8(11(17)18)10(14(3)13-6)15-5-4-12-9(16)7(15)2/h7H,4-5H2,1-3H3,(H,12,16)(H,17,18)
InChIKeyILVBBDJJTSXDNR-UHFFFAOYSA-N
MW252.27 g/mol
LogP-0.25
Rot. Bonds2

About 1,3-dimethyl-5-(2-methyl-3-oxopiperazin-1-yl)pyrazole-4-carboxylic acid

1,3-dimethyl-5-(2-methyl-3-oxopiperazin-1-yl)pyrazole-4-carboxylic acid (PubChem CID 63607319) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 1,3-dimethyl-5-(2-methyl-3-oxopiperazin-1-yl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1,3-dimethyl-5-(2-methyl-3-oxopiperazin-1-yl)pyrazole-4-carboxylic acid
PubChem CID63607319
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name1,3-dimethyl-5-(2-methyl-3-oxopiperazin-1-yl)pyrazole-4-carboxylic acid
SMILESCc1nn(C)c(N2CCNC(=O)C2C)c1C(=O)O
InChIInChI=1S/C11H16N4O3/c1-6-8(11(17)18)10(14(3)13-6)15-5-4-12-9(16)7(15)2/h7H,4-5H2,1-3H3,(H,12,16)(H,17,18)
InChIKeyILVBBDJJTSXDNR-UHFFFAOYSA-N
XLogP-0.25
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-ethyl-3,5-dioxopiperazin-1-yl)-1,3-dimethylpyrazole-4-carboxylic acid
CID 66067185
4-methyl-2-(2-methyl-3-oxopiperazin-1-yl)-1,3-thiazole-5-carboxylic acid
CID 80570135
3-[5-(2-ethyl-3-oxopiperazin-1-yl)-1,3-dimethylpyrazol-4-yl]prop-2-enoic acid
CID 77000446
3-methyl-4-[3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoyl]piperazin-2-one
CID 76995626
4-(4-acetylphenyl)-3-methylpiperazin-2-one
CID 55216694
1,3-dimethyl-5-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrazole-4-carboxylic acid
CID 63535828
3,5-difluoro-4-(2-methyl-3-oxopiperazin-1-yl)benzoic acid
CID 63607838
5-bromo-2-(2-methyl-3-oxopiperazin-1-yl)pyridine-3-carboxylic acid
CID 63606105
5-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3-dimethylpyrazole-4-carboxylic acid
CID 28952095
1,3-dimethyl-5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrazole-4-carboxylic acid
CID 63170699
4-(6-acetyl-3-pyridinyl)-3-methylpiperazin-2-one
CID 83118479
4-acetyl-3-methylpiperazin-2-one
CID 13190467

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-(2-methyl-3-oxopiperazin-1-yl)pyrazole-4-carboxylic acid?
The IUPAC name of 1,3-dimethyl-5-(2-methyl-3-oxopiperazin-1-yl)pyrazole-4-carboxylic acid (CID 63607319) is 1,3-dimethyl-5-(2-methyl-3-oxopiperazin-1-yl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 1,3-dimethyl-5-(2-methyl-3-oxopiperazin-1-yl)pyrazole-4-carboxylic acid?
The canonical SMILES for 1,3-dimethyl-5-(2-methyl-3-oxopiperazin-1-yl)pyrazole-4-carboxylic acid is Cc1nn(C)c(N2CCNC(=O)C2C)c1C(=O)O.
What is the InChIKey of 1,3-dimethyl-5-(2-methyl-3-oxopiperazin-1-yl)pyrazole-4-carboxylic acid?
The InChIKey is ILVBBDJJTSXDNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-6-8(11(17)18)10(14(3)13-6)15-5-4-12-9(16)7(15)2/h7H,4-5H2,1-3H3,(H,12,16)(H,17,18).
What are the key properties of 1,3-dimethyl-5-(2-methyl-3-oxopiperazin-1-yl)pyrazole-4-carboxylic acid?
1,3-dimethyl-5-(2-methyl-3-oxopiperazin-1-yl)pyrazole-4-carboxylic acid has a molecular weight of 252.27 g/mol, XLogP of -0.25, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-(2-methyl-3-oxopiperazin-1-yl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 63607319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).