5-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]pyrazine-2-carboxylic acid

C13H14N6O3 — CID 122054198

IUPAC5-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]pyrazine-2-carboxylic acid
SMILESCn1cc(N2CCN(c3cnc(C(=O)O)cn3)CC2=O)cn1
InChIInChI=1S/C13H14N6O3/c1-17-7-9(4-16-17)19-3-2-18(8-12(19)20)11-6-14-10(5-15-11)13(21)22/h4-7H,2-3,8H2,1H3,(H,21,22)
InChIKeyFSCAEBMSVIXMLH-UHFFFAOYSA-N
MW302.29 g/mol
LogP-0.24
Rot. Bonds3

About 5-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]pyrazine-2-carboxylic acid

5-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]pyrazine-2-carboxylic acid (PubChem CID 122054198) has the molecular formula C13H14N6O3 and a molecular weight of 302.29 g/mol. Its IUPAC name is 5-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]pyrazine-2-carboxylic acid
PubChem CID122054198
Molecular FormulaC13H14N6O3
Molecular Weight302.29 g/mol
Exact Mass302.11
IUPAC Name5-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]pyrazine-2-carboxylic acid
SMILESCn1cc(N2CCN(c3cnc(C(=O)O)cn3)CC2=O)cn1
InChIInChI=1S/C13H14N6O3/c1-17-7-9(4-16-17)19-3-2-18(8-12(19)20)11-6-14-10(5-15-11)13(21)22/h4-7H,2-3,8H2,1H3,(H,21,22)
InChIKeyFSCAEBMSVIXMLH-UHFFFAOYSA-N
XLogP-0.24
TPSA104.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(4-methylpiperazin-1-yl)pyrazine-2-carboxylic acid;dihydrochloride
CID 170916735
6-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]-N-prop-2-enylpyridine-3-carboxamide
CID 133336874
4-(4,6-dimethylpyrimidin-2-yl)-1-(1-methylpyrazol-4-yl)piperazin-2-one
CID 71976819
1-(1-methylpyrazol-4-yl)-4-(2-methyl-4-pyridinyl)piperazin-2-one
CID 133490452
5-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)pyrazine-2-carboxylic acid
CID 122057108
4-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]benzonitrile
CID 133336956
5-(azetidin-1-yl)pyrazine-2-carboxylic acid
CID 117102504
4,5-dimethyl-2-[6-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one
CID 137269890
5-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]pyrazine-2-carboxylic acid
CID 122047688
(2S)-2-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]butanoic acid
CID 124623101
4-chloro-2-methyl-5-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]pyridazin-3-one
CID 133336960
4-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]-1-(1-methylpyrazol-4-yl)piperazin-2-one
CID 133336876

Frequently Asked Questions

What is the IUPAC name of 5-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]pyrazine-2-carboxylic acid (CID 122054198) is 5-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]pyrazine-2-carboxylic acid is Cn1cc(N2CCN(c3cnc(C(=O)O)cn3)CC2=O)cn1.
What is the InChIKey of 5-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]pyrazine-2-carboxylic acid?
The InChIKey is FSCAEBMSVIXMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6O3/c1-17-7-9(4-16-17)19-3-2-18(8-12(19)20)11-6-14-10(5-15-11)13(21)22/h4-7H,2-3,8H2,1H3,(H,21,22).
What are the key properties of 5-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]pyrazine-2-carboxylic acid?
5-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]pyrazine-2-carboxylic acid has a molecular weight of 302.29 g/mol, XLogP of -0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 122054198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).