4-(fluoromethyl)-1-[1-(5-methyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]pyrrolidin-2-one

C15H21FN4O2 — CID 126899718

IUPAC4-(fluoromethyl)-1-[1-(5-methyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]pyrrolidin-2-one
SMILESCc1cc(C(=O)N2CCC(N3CC(CF)CC3=O)CC2)n[nH]1
InChIInChI=1S/C15H21FN4O2/c1-10-6-13(18-17-10)15(22)19-4-2-12(3-5-19)20-9-11(8-16)7-14(20)21/h6,11-12H,2-5,7-9H2,1H3,(H,17,18)
InChIKeyJCMXVLILVWDNGM-UHFFFAOYSA-N
MW308.36 g/mol
LogP1.14
Rot. Bonds3

About 4-(fluoromethyl)-1-[1-(5-methyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]pyrrolidin-2-one

4-(fluoromethyl)-1-[1-(5-methyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]pyrrolidin-2-one (PubChem CID 126899718) has the molecular formula C15H21FN4O2 and a molecular weight of 308.36 g/mol. Its IUPAC name is 4-(fluoromethyl)-1-[1-(5-methyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(fluoromethyl)-1-[1-(5-methyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]pyrrolidin-2-one
PubChem CID126899718
Molecular FormulaC15H21FN4O2
Molecular Weight308.36 g/mol
Exact Mass308.16
IUPAC Name4-(fluoromethyl)-1-[1-(5-methyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]pyrrolidin-2-one
SMILESCc1cc(C(=O)N2CCC(N3CC(CF)CC3=O)CC2)n[nH]1
InChIInChI=1S/C15H21FN4O2/c1-10-6-13(18-17-10)15(22)19-4-2-12(3-5-19)20-9-11(8-16)7-14(20)21/h6,11-12H,2-5,7-9H2,1H3,(H,17,18)
InChIKeyJCMXVLILVWDNGM-UHFFFAOYSA-N
XLogP1.14
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one
CID 126899745
4-(fluoromethyl)-1-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]pyrrolidin-2-one
CID 126899694
9-(5-methyl-1H-pyrazole-3-carbonyl)-2-[(3R)-1-methylpyrrolidin-3-yl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97113035
1-[1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]-4-(methylsulfonylmethyl)pyrrolidin-2-one
CID 126899960
(4-ethylpiperazin-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone
CID 53017422
(3-aminopiperidin-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone;hydrochloride
CID 119378378
(6R)-1-cyclohexyl-4-(5-methyl-1H-pyrazole-3-carbonyl)-6-phenylmethoxy-1,4-diazepan-2-one
CID 26147254
(5-methyl-1H-pyrazol-3-yl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 129367196
4-[[1-(5-methyl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]methyl]benzoic acid
CID 70764751
4-[[(3R)-1-(5-methyl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]methyl]benzoic acid
CID 95889323
4-(fluoromethyl)-1-[1-(6-methylpyrazin-2-yl)piperidin-4-yl]pyrrolidin-2-one
CID 126899802
(4-ethylsulfonylpiperazin-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone
CID 20910824

Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-1-[1-(5-methyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]pyrrolidin-2-one?
The IUPAC name of 4-(fluoromethyl)-1-[1-(5-methyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]pyrrolidin-2-one (CID 126899718) is 4-(fluoromethyl)-1-[1-(5-methyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]pyrrolidin-2-one.
What is the SMILES notation for 4-(fluoromethyl)-1-[1-(5-methyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]pyrrolidin-2-one?
The canonical SMILES for 4-(fluoromethyl)-1-[1-(5-methyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]pyrrolidin-2-one is Cc1cc(C(=O)N2CCC(N3CC(CF)CC3=O)CC2)n[nH]1.
What is the InChIKey of 4-(fluoromethyl)-1-[1-(5-methyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]pyrrolidin-2-one?
The InChIKey is JCMXVLILVWDNGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN4O2/c1-10-6-13(18-17-10)15(22)19-4-2-12(3-5-19)20-9-11(8-16)7-14(20)21/h6,11-12H,2-5,7-9H2,1H3,(H,17,18).
What are the key properties of 4-(fluoromethyl)-1-[1-(5-methyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]pyrrolidin-2-one?
4-(fluoromethyl)-1-[1-(5-methyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]pyrrolidin-2-one has a molecular weight of 308.36 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-1-[1-(5-methyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 126899718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).