5-(4-fluoro-4-methylpiperidine-1-carbonyl)-2-methyl-1H-pyrazol-3-one

C11H16FN3O2 — CID 154843440

IUPAC5-(4-fluoro-4-methylpiperidine-1-carbonyl)-2-methyl-1H-pyrazol-3-one
SMILESCn1[nH]c(C(=O)N2CCC(C)(F)CC2)cc1=O
InChIInChI=1S/C11H16FN3O2/c1-11(12)3-5-15(6-4-11)10(17)8-7-9(16)14(2)13-8/h7,13H,3-6H2,1-2H3
InChIKeyXBFSQPVUQHPNRA-UHFFFAOYSA-N
MW241.27 g/mol
LogP0.68
Rot. Bonds1

About 5-(4-fluoro-4-methylpiperidine-1-carbonyl)-2-methyl-1H-pyrazol-3-one

5-(4-fluoro-4-methylpiperidine-1-carbonyl)-2-methyl-1H-pyrazol-3-one (PubChem CID 154843440) has the molecular formula C11H16FN3O2 and a molecular weight of 241.27 g/mol. Its IUPAC name is 5-(4-fluoro-4-methylpiperidine-1-carbonyl)-2-methyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name5-(4-fluoro-4-methylpiperidine-1-carbonyl)-2-methyl-1H-pyrazol-3-one
PubChem CID154843440
Molecular FormulaC11H16FN3O2
Molecular Weight241.27 g/mol
Exact Mass241.12
IUPAC Name5-(4-fluoro-4-methylpiperidine-1-carbonyl)-2-methyl-1H-pyrazol-3-one
SMILESCn1[nH]c(C(=O)N2CCC(C)(F)CC2)cc1=O
InChIInChI=1S/C11H16FN3O2/c1-11(12)3-5-15(6-4-11)10(17)8-7-9(16)14(2)13-8/h7,13H,3-6H2,1-2H3
InChIKeyXBFSQPVUQHPNRA-UHFFFAOYSA-N
XLogP0.68
TPSA58.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-hydroxy-1-methyl-N-{1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl}-1H-pyrazole-3-carboxamide
CID 138035128
N-methyl-5-oxo-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]-1,2-dihydropyrazole-3-carboxamide
CID 90224495
N-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]-5-oxo-1,2-dihydropyrazole-3-carboxamide
CID 90226850
5-methyl-2-(2-piperidin-1-ylethyl)-1H-pyrazol-3-one
CID 102406422
5-(3,5-Dimethylpiperidine-1-carbonyl)-1,2-dihydropyrazol-3-one
CID 108466349
5-(2-Methylpiperidine-1-carbonyl)-1,2-dihydropyrazol-3-one
CID 108466356
5-(2-Ethylpiperidine-1-carbonyl)-1,2-dihydropyrazol-3-one
CID 108466357
5-(3-Methylpiperidine-1-carbonyl)-1,2-dihydropyrazol-3-one
CID 110600681
5-(2,6-Dimethylpiperidine-1-carbonyl)-1,2-dihydropyrazol-3-one
CID 110600685
5-(Piperidine-1-carbonyl)-1,2-dihydropyrazol-3-one
CID 112513808
5-(4-Methylpiperidine-1-carbonyl)-1,2-dihydropyrazol-3-one
CID 112513810
1-(5-Oxo-1,2-dihydropyrazole-3-carbonyl)piperidine-4-carboxamide
CID 112513837

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoro-4-methylpiperidine-1-carbonyl)-2-methyl-1H-pyrazol-3-one?
The IUPAC name of 5-(4-fluoro-4-methylpiperidine-1-carbonyl)-2-methyl-1H-pyrazol-3-one (CID 154843440) is 5-(4-fluoro-4-methylpiperidine-1-carbonyl)-2-methyl-1H-pyrazol-3-one.
What is the SMILES notation for 5-(4-fluoro-4-methylpiperidine-1-carbonyl)-2-methyl-1H-pyrazol-3-one?
The canonical SMILES for 5-(4-fluoro-4-methylpiperidine-1-carbonyl)-2-methyl-1H-pyrazol-3-one is Cn1[nH]c(C(=O)N2CCC(C)(F)CC2)cc1=O.
What is the InChIKey of 5-(4-fluoro-4-methylpiperidine-1-carbonyl)-2-methyl-1H-pyrazol-3-one?
The InChIKey is XBFSQPVUQHPNRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O2/c1-11(12)3-5-15(6-4-11)10(17)8-7-9(16)14(2)13-8/h7,13H,3-6H2,1-2H3.
What are the key properties of 5-(4-fluoro-4-methylpiperidine-1-carbonyl)-2-methyl-1H-pyrazol-3-one?
5-(4-fluoro-4-methylpiperidine-1-carbonyl)-2-methyl-1H-pyrazol-3-one has a molecular weight of 241.27 g/mol, XLogP of 0.68, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoro-4-methylpiperidine-1-carbonyl)-2-methyl-1H-pyrazol-3-one is sourced from PubChem (CID 154843440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).