1-ethyl-3-methyl-4-[4-(1H-pyrazol-4-yl)butanoyl]piperazin-2-one

C14H22N4O2 — CID 56750732

IUPAC1-ethyl-3-methyl-4-[4-(1H-pyrazol-4-yl)butanoyl]piperazin-2-one
SMILESCCN1CCN(C(=O)CCCc2cn[nH]c2)C(C)C1=O
InChIInChI=1S/C14H22N4O2/c1-3-17-7-8-18(11(2)14(17)20)13(19)6-4-5-12-9-15-16-10-12/h9-11H,3-8H2,1-2H3,(H,15,16)
InChIKeyMRFRCCACFSTSJV-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.81
Rot. Bonds5

About 1-ethyl-3-methyl-4-[4-(1H-pyrazol-4-yl)butanoyl]piperazin-2-one

1-ethyl-3-methyl-4-[4-(1H-pyrazol-4-yl)butanoyl]piperazin-2-one (PubChem CID 56750732) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 1-ethyl-3-methyl-4-[4-(1H-pyrazol-4-yl)butanoyl]piperazin-2-one.

Molecular Properties

Compound Name1-ethyl-3-methyl-4-[4-(1H-pyrazol-4-yl)butanoyl]piperazin-2-one
PubChem CID56750732
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name1-ethyl-3-methyl-4-[4-(1H-pyrazol-4-yl)butanoyl]piperazin-2-one
SMILESCCN1CCN(C(=O)CCCc2cn[nH]c2)C(C)C1=O
InChIInChI=1S/C14H22N4O2/c1-3-17-7-8-18(11(2)14(17)20)13(19)6-4-5-12-9-15-16-10-12/h9-11H,3-8H2,1-2H3,(H,15,16)
InChIKeyMRFRCCACFSTSJV-UHFFFAOYSA-N
XLogP0.81
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(N-6-aminocaproyl)aminopropyl]-pyrazole
CID 22754935
1-[(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-4-(1H-pyrazol-4-yl)butan-1-one
CID 56872537
N-[(1S*,2R*)-2-(cycloheptylamino)cyclobutyl]-4-(1H-pyrazol-4-yl)butanamide
CID 56908193
N,N-dimethyl-1-[4-(1H-pyrazol-4-yl)butanoyl]-4-azepanamine
CID 56908749
1-[(3aS,6aS)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-4-(1H-pyrazol-4-yl)butan-1-one
CID 70782329
(3R*,4S*)-4-cyclopropyl-1-[4-(1H-pyrazol-4-yl)butanoyl]pyrrolidin-3-amine
CID 72849771
1-[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-4-(1H-pyrazol-4-yl)butan-1-one
CID 72851912
N-[(3R*,4S*)-4-cyclopropyl-1-(2,2-dimethylpropanoyl)pyrrolidin-3-yl]-4-(1H-pyrazol-4-yl)butanamide
CID 72866841
N-(cis-4-aminocyclohexyl)-4-(1H-pyrazol-4-yl)butanamide
CID 74245889
4-(1H-Pyrazol-4-YL)-N-{2-[(2S)-pyrrolidin-2-YL]ethyl}butanamide
CID 74247815
(2R)-2-Amino-2-cyclohexyl-N-[2-(1H-pyrazol-4-YL)ethyl]acetamide
CID 90653977
N-[2-Methyl-2-(4-methylpiperazin-1-YL)propyl]-3-(1H-pyrazol-4-YL)propanamide
CID 124206842

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-4-[4-(1H-pyrazol-4-yl)butanoyl]piperazin-2-one?
The IUPAC name of 1-ethyl-3-methyl-4-[4-(1H-pyrazol-4-yl)butanoyl]piperazin-2-one (CID 56750732) is 1-ethyl-3-methyl-4-[4-(1H-pyrazol-4-yl)butanoyl]piperazin-2-one.
What is the SMILES notation for 1-ethyl-3-methyl-4-[4-(1H-pyrazol-4-yl)butanoyl]piperazin-2-one?
The canonical SMILES for 1-ethyl-3-methyl-4-[4-(1H-pyrazol-4-yl)butanoyl]piperazin-2-one is CCN1CCN(C(=O)CCCc2cn[nH]c2)C(C)C1=O.
What is the InChIKey of 1-ethyl-3-methyl-4-[4-(1H-pyrazol-4-yl)butanoyl]piperazin-2-one?
The InChIKey is MRFRCCACFSTSJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-3-17-7-8-18(11(2)14(17)20)13(19)6-4-5-12-9-15-16-10-12/h9-11H,3-8H2,1-2H3,(H,15,16).
What are the key properties of 1-ethyl-3-methyl-4-[4-(1H-pyrazol-4-yl)butanoyl]piperazin-2-one?
1-ethyl-3-methyl-4-[4-(1H-pyrazol-4-yl)butanoyl]piperazin-2-one has a molecular weight of 278.36 g/mol, XLogP of 0.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-4-[4-(1H-pyrazol-4-yl)butanoyl]piperazin-2-one is sourced from PubChem (CID 56750732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).