2-[3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]acetic acid

C11H16N4O3 — CID 19623349

IUPAC2-[3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]acetic acid
SMILESCN1CCN(C(=O)c2ccn(CC(=O)O)n2)CC1
InChIInChI=1S/C11H16N4O3/c1-13-4-6-14(7-5-13)11(18)9-2-3-15(12-9)8-10(16)17/h2-3H,4-8H2,1H3,(H,16,17)
InChIKeyCLINSTJHGQETPE-UHFFFAOYSA-N
MW252.27 g/mol
LogP-0.64
Rot. Bonds3

About 2-[3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]acetic acid

2-[3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]acetic acid (PubChem CID 19623349) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-[3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]acetic acid
PubChem CID19623349
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name2-[3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]acetic acid
SMILESCN1CCN(C(=O)c2ccn(CC(=O)O)n2)CC1
InChIInChI=1S/C11H16N4O3/c1-13-4-6-14(7-5-13)11(18)9-2-3-15(12-9)8-10(16)17/h2-3H,4-8H2,1H3,(H,16,17)
InChIKeyCLINSTJHGQETPE-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

isobutyl 3-(piperidin-1-ylcarbonyl)-1H-pyrazole-1-carboxylate
CID 3243745
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CID 6469837
(1-methyl-1H-pyrazol-5-yl)(morpholino)methanone
CID 6469888
(1-Ethylpyrazol-3-yl)-morpholin-4-ylmethanone
CID 1225789
4-oxo-4H,5H-pyrazolo(1,5-a)pyrazine-7-carboxylic acid
CID 154872965
2-(4-oxo-4H,5H-pyrazolo(1,5-d)(1,2,4)triazin-5-yl)acetic acid
CID 12814061
2,6-dimethyl-4-[(1-methyl-1H-pyrazol-3-yl)carbonyl]morpholine
CID 5057975
1-ethyl-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide
CID 17144219
(4-Methylpiperidin-1-yl)-(1-propylpyrazol-3-yl)methanone
CID 39891793
[(2S,4S)-4-fluoro-1-(2-methylpyrazole-3-carbonyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone
CID 110875994
[(2S,4S)-1-(2-ethylpyrazole-3-carbonyl)-4-fluoropyrrolidin-2-yl]-piperidin-1-ylmethanone
CID 110875996
[(2S,4S)-1-(1-ethylpyrazole-3-carbonyl)-4-fluoropyrrolidin-2-yl]-piperidin-1-ylmethanone
CID 110875997

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]acetic acid (CID 19623349) is 2-[3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]acetic acid is CN1CCN(C(=O)c2ccn(CC(=O)O)n2)CC1.
What is the InChIKey of 2-[3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]acetic acid?
The InChIKey is CLINSTJHGQETPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-13-4-6-14(7-5-13)11(18)9-2-3-15(12-9)8-10(16)17/h2-3H,4-8H2,1H3,(H,16,17).
What are the key properties of 2-[3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]acetic acid?
2-[3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]acetic 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-[3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]acetic acid is sourced from PubChem (CID 19623349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).