2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazole-3-carboxylic acid

C11H16N4O3 — CID 60780092

IUPAC2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazole-3-carboxylic acid
SMILESCN1CCN(C(=O)Cn2nccc2C(=O)O)CC1
InChIInChI=1S/C11H16N4O3/c1-13-4-6-14(7-5-13)10(16)8-15-9(11(17)18)2-3-12-15/h2-3H,4-8H2,1H3,(H,17,18)
InChIKeyCGOKCVLWYWNCTE-UHFFFAOYSA-N
MW252.27 g/mol
LogP-0.64
Rot. Bonds3

About 2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazole-3-carboxylic acid

2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazole-3-carboxylic acid (PubChem CID 60780092) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazole-3-carboxylic acid
PubChem CID60780092
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazole-3-carboxylic acid
SMILESCN1CCN(C(=O)Cn2nccc2C(=O)O)CC1
InChIInChI=1S/C11H16N4O3/c1-13-4-6-14(7-5-13)10(16)8-15-9(11(17)18)2-3-12-15/h2-3H,4-8H2,1H3,(H,17,18)
InChIKeyCGOKCVLWYWNCTE-UHFFFAOYSA-N
XLogP-0.64
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 5-0.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(4-ethylsulfonylpiperazin-1-yl)-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19485709
2-[2-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19485690
2-[2-oxo-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethyl]pyrazole-3-carboxylic acid
CID 19485695
2-(carboxymethyl)pyrazole-3-carboxylic acid
CID 19485803
2-[2-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19485570
2-[2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19485579
2-propylpyrazole-3-carboxylic acid
CID 7017775
2-[2-oxo-2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]pyrazole-3-carboxylic acid
CID 19485605
2-(2-carboxyethyl)pyrazole-3-carboxylic acid
CID 19494074
2-[2-(tert-butylamino)-2-oxoethyl]pyrazole-3-carboxylic acid
CID 60780045
2-[3-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-3-oxopropyl]pyrazole-3-carboxylic acid
CID 19492257
2-(2-methylpropyl)pyrazole-3-carboxylic acid
CID 19619900

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazole-3-carboxylic acid?
The IUPAC name of 2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazole-3-carboxylic acid (CID 60780092) is 2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazole-3-carboxylic acid.
What is the SMILES notation for 2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazole-3-carboxylic acid?
The canonical SMILES for 2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazole-3-carboxylic acid is CN1CCN(C(=O)Cn2nccc2C(=O)O)CC1.
What is the InChIKey of 2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazole-3-carboxylic acid?
The InChIKey is CGOKCVLWYWNCTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-13-4-6-14(7-5-13)10(16)8-15-9(11(17)18)2-3-12-15/h2-3H,4-8H2,1H3,(H,17,18).
What are the key properties of 2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazole-3-carboxylic acid?
2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazole-3-carboxylic acid has a molecular weight of 252.27 g/mol, XLogP of -0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazole-3-carboxylic acid is sourced from PubChem (CID 60780092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).