2,2-dimethyl-4-[4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]-4-oxobutanamide

C15H23N5O3 — CID 22594058

IUPAC2,2-dimethyl-4-[4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]-4-oxobutanamide
SMILESCc1cc(C(=O)N2CCN(C(=O)CC(C)(C)C(N)=O)CC2)n[nH]1
InChIInChI=1S/C15H23N5O3/c1-10-8-11(18-17-10)13(22)20-6-4-19(5-7-20)12(21)9-15(2,3)14(16)23/h8H,4-7,9H2,1-3H3,(H2,16,23)(H,17,18)
InChIKeyWIEUOIIREZWMJO-UHFFFAOYSA-N
MW321.38 g/mol
LogP-0.10
Rot. Bonds4

About 2,2-dimethyl-4-[4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]-4-oxobutanamide

2,2-dimethyl-4-[4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]-4-oxobutanamide (PubChem CID 22594058) has the molecular formula C15H23N5O3 and a molecular weight of 321.38 g/mol. Its IUPAC name is 2,2-dimethyl-4-[4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]-4-oxobutanamide.

Molecular Properties

Compound Name2,2-dimethyl-4-[4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]-4-oxobutanamide
PubChem CID22594058
Molecular FormulaC15H23N5O3
Molecular Weight321.38 g/mol
Exact Mass321.18
IUPAC Name2,2-dimethyl-4-[4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]-4-oxobutanamide
SMILESCc1cc(C(=O)N2CCN(C(=O)CC(C)(C)C(N)=O)CC2)n[nH]1
InChIInChI=1S/C15H23N5O3/c1-10-8-11(18-17-10)13(22)20-6-4-19(5-7-20)12(21)9-15(2,3)14(16)23/h8H,4-7,9H2,1-3H3,(H2,16,23)(H,17,18)
InChIKeyWIEUOIIREZWMJO-UHFFFAOYSA-N
XLogP-0.10
TPSA112.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2,2-dimethyl-4-[4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]-4-oxobutanamide with MolForge

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Related Compounds

(4-ethylpiperazin-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone
CID 53017422
2-[4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 87021241
(4-ethylsulfonylpiperazin-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone
CID 20910824
[4-(4-tert-butyl-2,6-dimethylphenyl)sulfonylpiperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 60520699
(5-methyl-1H-pyrazol-3-yl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 129367196
4-[4-(furan-3-carbonyl)piperazin-1-yl]-2,2-dimethyl-4-oxobutanamide
CID 22594028
1-[4-(5-ethyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]ethanone
CID 78861980
(5-tert-butyl-1H-pyrazol-3-yl)-piperidin-1-ylmethanone
CID 110848778
(3-aminopiperidin-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone;hydrochloride
CID 119378378
[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 95758908
[4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone
CID 110328575
(4-butylsulfonylpiperazin-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone
CID 110328591

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-[4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]-4-oxobutanamide?
The IUPAC name of 2,2-dimethyl-4-[4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]-4-oxobutanamide (CID 22594058) is 2,2-dimethyl-4-[4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]-4-oxobutanamide.
What is the SMILES notation for 2,2-dimethyl-4-[4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]-4-oxobutanamide?
The canonical SMILES for 2,2-dimethyl-4-[4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]-4-oxobutanamide is Cc1cc(C(=O)N2CCN(C(=O)CC(C)(C)C(N)=O)CC2)n[nH]1.
What is the InChIKey of 2,2-dimethyl-4-[4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]-4-oxobutanamide?
The InChIKey is WIEUOIIREZWMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O3/c1-10-8-11(18-17-10)13(22)20-6-4-19(5-7-20)12(21)9-15(2,3)14(16)23/h8H,4-7,9H2,1-3H3,(H2,16,23)(H,17,18).
What are the key properties of 2,2-dimethyl-4-[4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]-4-oxobutanamide?
2,2-dimethyl-4-[4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]-4-oxobutanamide has a molecular weight of 321.38 g/mol, XLogP of -0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-[4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]-4-oxobutanamide is sourced from PubChem (CID 22594058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).