4-[2-(3,5-dimethylpyrazol-1-yl)propanoyl]-N-ethylpiperazine-1-carboxamide

C15H25N5O2 — CID 56785284

IUPAC4-[2-(3,5-dimethylpyrazol-1-yl)propanoyl]-N-ethylpiperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(C(=O)C(C)n2nc(C)cc2C)CC1
InChIInChI=1S/C15H25N5O2/c1-5-16-15(22)19-8-6-18(7-9-19)14(21)13(4)20-12(3)10-11(2)17-20/h10,13H,5-9H2,1-4H3,(H,16,22)
InChIKeyQJVOEKSQXBWVMS-UHFFFAOYSA-N
MW307.40 g/mol
LogP0.93
Rot. Bonds3

About 4-[2-(3,5-dimethylpyrazol-1-yl)propanoyl]-N-ethylpiperazine-1-carboxamide

4-[2-(3,5-dimethylpyrazol-1-yl)propanoyl]-N-ethylpiperazine-1-carboxamide (PubChem CID 56785284) has the molecular formula C15H25N5O2 and a molecular weight of 307.40 g/mol. Its IUPAC name is 4-[2-(3,5-dimethylpyrazol-1-yl)propanoyl]-N-ethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(3,5-dimethylpyrazol-1-yl)propanoyl]-N-ethylpiperazine-1-carboxamide
PubChem CID56785284
Molecular FormulaC15H25N5O2
Molecular Weight307.40 g/mol
Exact Mass307.20
IUPAC Name4-[2-(3,5-dimethylpyrazol-1-yl)propanoyl]-N-ethylpiperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(C(=O)C(C)n2nc(C)cc2C)CC1
InChIInChI=1S/C15H25N5O2/c1-5-16-15(22)19-8-6-18(7-9-19)14(21)13(4)20-12(3)10-11(2)17-20/h10,13H,5-9H2,1-4H3,(H,16,22)
InChIKeyQJVOEKSQXBWVMS-UHFFFAOYSA-N
XLogP0.93
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-dimethylpyrazol-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 47986482
2-(3,5-dimethylpyrazol-1-yl)-1-(3-hydroxypiperidin-1-yl)propan-1-one
CID 110906659
2-(3,5-dimethylpyrazol-1-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 47988003
(3R)-1-[(2R)-2-(3,5-dimethylpyrazol-1-yl)propanoyl]pyrrolidine-3-carboxylic acid
CID 124610502
(2R)-2-(3,5-dimethylpyrazol-1-yl)-1-[4-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]propan-1-one
CID 95905565
4-[2-(3,5-dimethylpyrazol-1-yl)propanoyl]morpholine-2-carboxamide
CID 49416745
2-(3,5-dimethylpyrazol-1-yl)-N-(2-methylpropyl)propanamide
CID 47986094
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(3,5-dimethylpyrazol-1-yl)propan-1-one;dihydrochloride
CID 120803666
2-(3,5-dimethylpyrazol-1-yl)-N-hydroxypropanamide
CID 131134395
4-(2-bromopropanoyl)-N-ethylpiperazine-1-carboxamide
CID 107904221
1-[4-(1-butylimidazol-2-yl)piperidin-1-yl]-2-(3,5-dimethylpyrazol-1-yl)propan-1-one
CID 72925619
(2R)-2-(3,5-dimethylpyrazol-1-yl)-N-[(3-ethylimidazol-4-yl)methyl]propanamide
CID 124849946

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,5-dimethylpyrazol-1-yl)propanoyl]-N-ethylpiperazine-1-carboxamide?
The IUPAC name of 4-[2-(3,5-dimethylpyrazol-1-yl)propanoyl]-N-ethylpiperazine-1-carboxamide (CID 56785284) is 4-[2-(3,5-dimethylpyrazol-1-yl)propanoyl]-N-ethylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[2-(3,5-dimethylpyrazol-1-yl)propanoyl]-N-ethylpiperazine-1-carboxamide?
The canonical SMILES for 4-[2-(3,5-dimethylpyrazol-1-yl)propanoyl]-N-ethylpiperazine-1-carboxamide is CCNC(=O)N1CCN(C(=O)C(C)n2nc(C)cc2C)CC1.
What is the InChIKey of 4-[2-(3,5-dimethylpyrazol-1-yl)propanoyl]-N-ethylpiperazine-1-carboxamide?
The InChIKey is QJVOEKSQXBWVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O2/c1-5-16-15(22)19-8-6-18(7-9-19)14(21)13(4)20-12(3)10-11(2)17-20/h10,13H,5-9H2,1-4H3,(H,16,22).
What are the key properties of 4-[2-(3,5-dimethylpyrazol-1-yl)propanoyl]-N-ethylpiperazine-1-carboxamide?
4-[2-(3,5-dimethylpyrazol-1-yl)propanoyl]-N-ethylpiperazine-1-carboxamide has a molecular weight of 307.40 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,5-dimethylpyrazol-1-yl)propanoyl]-N-ethylpiperazine-1-carboxamide is sourced from PubChem (CID 56785284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).