4-methyl-1-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]pentane-1,2-dione

C15H23N3O2 — CID 126466194

IUPAC4-methyl-1-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]pentane-1,2-dione
SMILESCc1cn[nH]c1C1CCCN(C(=O)C(=O)CC(C)C)C1
InChIInChI=1S/C15H23N3O2/c1-10(2)7-13(19)15(20)18-6-4-5-12(9-18)14-11(3)8-16-17-14/h8,10,12H,4-7,9H2,1-3H3,(H,16,17)
InChIKeyGRQQYSBWCWBBJA-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.04
Rot. Bonds4

About 4-methyl-1-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]pentane-1,2-dione

4-methyl-1-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]pentane-1,2-dione (PubChem CID 126466194) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 4-methyl-1-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]pentane-1,2-dione.

Molecular Properties

Compound Name4-methyl-1-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]pentane-1,2-dione
PubChem CID126466194
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name4-methyl-1-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]pentane-1,2-dione
SMILESCc1cn[nH]c1C1CCCN(C(=O)C(=O)CC(C)C)C1
InChIInChI=1S/C15H23N3O2/c1-10(2)7-13(19)15(20)18-6-4-5-12(9-18)14-11(3)8-16-17-14/h8,10,12H,4-7,9H2,1-3H3,(H,16,17)
InChIKeyGRQQYSBWCWBBJA-UHFFFAOYSA-N
XLogP2.04
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

4-acetyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]piperazine-1-carboxamide
CID 53505081
1-(1-acetylpiperidin-4-yl)-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]urea
CID 53505690
4-(2-amino-2-oxoethyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]piperidine-1-carboxamide
CID 53510163
1-(5-{[4-(4-ethyl-1H-pyrazol-5-yl)-1-piperidinyl]carbonyl}-6-hydroxy-2-methyl-3-pyridinyl)ethanone
CID 56738231
1-{3-oxo-3-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propyl}azepan-2-one
CID 56739117
1-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]piperidine-1,4-dicarboxamide
CID 71894156
cyclobutyl-[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 73439424
3-methoxy-1-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 110256062
cyclopentyl-[3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 110269329
2-cyclopentyl-1-[3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone
CID 110270853
1-[4-oxo-4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]butyl]pyrrolidin-2-one
CID 110270976
[3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-(oxan-4-yl)methanone
CID 110271074

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]pentane-1,2-dione?
The IUPAC name of 4-methyl-1-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]pentane-1,2-dione (CID 126466194) is 4-methyl-1-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]pentane-1,2-dione.
What is the SMILES notation for 4-methyl-1-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]pentane-1,2-dione?
The canonical SMILES for 4-methyl-1-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]pentane-1,2-dione is Cc1cn[nH]c1C1CCCN(C(=O)C(=O)CC(C)C)C1.
What is the InChIKey of 4-methyl-1-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]pentane-1,2-dione?
The InChIKey is GRQQYSBWCWBBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-10(2)7-13(19)15(20)18-6-4-5-12(9-18)14-11(3)8-16-17-14/h8,10,12H,4-7,9H2,1-3H3,(H,16,17).
What are the key properties of 4-methyl-1-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]pentane-1,2-dione?
4-methyl-1-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]pentane-1,2-dione has a molecular weight of 277.37 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]pentane-1,2-dione is sourced from PubChem (CID 126466194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).