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

C16H25N3O2 — CID 56747149

IUPAC1-[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-4-methylpentane-1,2-dione
SMILESCCc1cn[nH]c1C1CCCN(C(=O)C(=O)CC(C)C)C1
InChIInChI=1S/C16H25N3O2/c1-4-12-9-17-18-15(12)13-6-5-7-19(10-13)16(21)14(20)8-11(2)3/h9,11,13H,4-8,10H2,1-3H3,(H,17,18)
InChIKeyKKCZYEFMCMTSQY-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.29
Rot. Bonds5

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

1-[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-4-methylpentane-1,2-dione (PubChem CID 56747149) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 1-[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-4-methylpentane-1,2-dione.

Molecular Properties

Compound Name1-[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-4-methylpentane-1,2-dione
PubChem CID56747149
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name1-[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-4-methylpentane-1,2-dione
SMILESCCc1cn[nH]c1C1CCCN(C(=O)C(=O)CC(C)C)C1
InChIInChI=1S/C16H25N3O2/c1-4-12-9-17-18-15(12)13-6-5-7-19(10-13)16(21)14(20)8-11(2)3/h9,11,13H,4-8,10H2,1-3H3,(H,17,18)
InChIKeyKKCZYEFMCMTSQY-UHFFFAOYSA-N
XLogP2.29
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-4-methylpentane-1,2-dione?
The IUPAC name of 1-[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-4-methylpentane-1,2-dione (CID 56747149) is 1-[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-4-methylpentane-1,2-dione.
What is the SMILES notation for 1-[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-4-methylpentane-1,2-dione?
The canonical SMILES for 1-[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-4-methylpentane-1,2-dione is CCc1cn[nH]c1C1CCCN(C(=O)C(=O)CC(C)C)C1.
What is the InChIKey of 1-[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-4-methylpentane-1,2-dione?
The InChIKey is KKCZYEFMCMTSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-4-12-9-17-18-15(12)13-6-5-7-19(10-13)16(21)14(20)8-11(2)3/h9,11,13H,4-8,10H2,1-3H3,(H,17,18).
What are the key properties of 1-[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-4-methylpentane-1,2-dione?
1-[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-4-methylpentane-1,2-dione has a molecular weight of 291.39 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-4-methylpentane-1,2-dione is sourced from PubChem (CID 56747149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).