1-[4-(2-methylpyrazole-3-carbonyl)piperazin-1-yl]ethanone

C11H16N4O2 — CID 110467110

IUPAC1-[4-(2-methylpyrazole-3-carbonyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2ccnn2C)CC1
InChIInChI=1S/C11H16N4O2/c1-9(16)14-5-7-15(8-6-14)11(17)10-3-4-12-13(10)2/h3-4H,5-8H2,1-2H3
InChIKeyANGDTXUFPNWMMS-UHFFFAOYSA-N
MW236.27 g/mol
LogP-0.28
Rot. Bonds1

About 1-[4-(2-methylpyrazole-3-carbonyl)piperazin-1-yl]ethanone

1-[4-(2-methylpyrazole-3-carbonyl)piperazin-1-yl]ethanone (PubChem CID 110467110) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 1-[4-(2-methylpyrazole-3-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(2-methylpyrazole-3-carbonyl)piperazin-1-yl]ethanone
PubChem CID110467110
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name1-[4-(2-methylpyrazole-3-carbonyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2ccnn2C)CC1
InChIInChI=1S/C11H16N4O2/c1-9(16)14-5-7-15(8-6-14)11(17)10-3-4-12-13(10)2/h3-4H,5-8H2,1-2H3
InChIKeyANGDTXUFPNWMMS-UHFFFAOYSA-N
XLogP-0.28
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 5-0.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methylpyrazol-3-yl)-piperazin-1-ylmethanone;dihydrochloride
CID 126965683
(2-methylpyrazol-3-yl)-(4-phenylpiperazin-1-yl)methanone
CID 1219801
[4-(1-bromoethyl)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 106839312
[4-(2-chlorophenyl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 6468388
1-(2-methylpyrazole-3-carbonyl)-1,4-diazepan-5-one
CID 62317121
[4-[2-(diethylamino)ethyl]piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 131928604
1-[(3S)-4-(2-methylpyrazole-3-carbonyl)-3-phenylpiperazin-1-yl]ethanone
CID 124986438
[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 6471079
[4-(1-aminobutan-2-yl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 63341292
[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 95750139
[4-(6-amino-3-pyridinyl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 62921478
N-cyclohexyl-4-(2-methylpyrazole-3-carbonyl)-1,4-diazepane-1-carboxamide
CID 138380460

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylpyrazole-3-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(2-methylpyrazole-3-carbonyl)piperazin-1-yl]ethanone (CID 110467110) is 1-[4-(2-methylpyrazole-3-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(2-methylpyrazole-3-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(2-methylpyrazole-3-carbonyl)piperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)c2ccnn2C)CC1.
What is the InChIKey of 1-[4-(2-methylpyrazole-3-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is ANGDTXUFPNWMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-9(16)14-5-7-15(8-6-14)11(17)10-3-4-12-13(10)2/h3-4H,5-8H2,1-2H3.
What are the key properties of 1-[4-(2-methylpyrazole-3-carbonyl)piperazin-1-yl]ethanone?
1-[4-(2-methylpyrazole-3-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 236.27 g/mol, XLogP of -0.28, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylpyrazole-3-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 110467110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).