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

C16H23FN4O2 — CID 126899711

IUPAC1-[1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one
SMILESCc1n[nH]c(C)c1C(=O)N1CCC(N2CC(CF)CC2=O)CC1
InChIInChI=1S/C16H23FN4O2/c1-10-15(11(2)19-18-10)16(23)20-5-3-13(4-6-20)21-9-12(8-17)7-14(21)22/h12-13H,3-9H2,1-2H3,(H,18,19)
InChIKeyZLTWSPWOCUOFQP-UHFFFAOYSA-N
MW322.38 g/mol
LogP1.45
Rot. Bonds3

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

1-[1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one (PubChem CID 126899711) has the molecular formula C16H23FN4O2 and a molecular weight of 322.38 g/mol. Its IUPAC name is 1-[1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one
PubChem CID126899711
Molecular FormulaC16H23FN4O2
Molecular Weight322.38 g/mol
Exact Mass322.18
IUPAC Name1-[1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one
SMILESCc1n[nH]c(C)c1C(=O)N1CCC(N2CC(CF)CC2=O)CC1
InChIInChI=1S/C16H23FN4O2/c1-10-15(11(2)19-18-10)16(23)20-5-3-13(4-6-20)21-9-12(8-17)7-14(21)22/h12-13H,3-9H2,1-2H3,(H,18,19)
InChIKeyZLTWSPWOCUOFQP-UHFFFAOYSA-N
XLogP1.45
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one?
The IUPAC name of 1-[1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one (CID 126899711) is 1-[1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-[1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one?
The canonical SMILES for 1-[1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one is Cc1n[nH]c(C)c1C(=O)N1CCC(N2CC(CF)CC2=O)CC1.
What is the InChIKey of 1-[1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one?
The InChIKey is ZLTWSPWOCUOFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN4O2/c1-10-15(11(2)19-18-10)16(23)20-5-3-13(4-6-20)21-9-12(8-17)7-14(21)22/h12-13H,3-9H2,1-2H3,(H,18,19).
What are the key properties of 1-[1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one?
1-[1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one has a molecular weight of 322.38 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one is sourced from PubChem (CID 126899711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).