1-[2-[1-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperidin-4-yl]ethyl]pyrrolidin-2-one

C21H34N4O2 — CID 70726417

IUPAC1-[2-[1-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperidin-4-yl]ethyl]pyrrolidin-2-one
SMILESCCn1nc(CC(C)C)cc1C(=O)N1CCC(CCN2CCCC2=O)CC1
InChIInChI=1S/C21H34N4O2/c1-4-25-19(15-18(22-25)14-16(2)3)21(27)24-12-8-17(9-13-24)7-11-23-10-5-6-20(23)26/h15-17H,4-14H2,1-3H3
InChIKeyINRFGUHVIPMTSH-UHFFFAOYSA-N
MW374.53 g/mol
LogP2.97
Rot. Bonds7

About 1-[2-[1-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperidin-4-yl]ethyl]pyrrolidin-2-one

1-[2-[1-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperidin-4-yl]ethyl]pyrrolidin-2-one (PubChem CID 70726417) has the molecular formula C21H34N4O2 and a molecular weight of 374.53 g/mol. Its IUPAC name is 1-[2-[1-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperidin-4-yl]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[1-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperidin-4-yl]ethyl]pyrrolidin-2-one
PubChem CID70726417
Molecular FormulaC21H34N4O2
Molecular Weight374.53 g/mol
Exact Mass374.27
IUPAC Name1-[2-[1-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperidin-4-yl]ethyl]pyrrolidin-2-one
SMILESCCn1nc(CC(C)C)cc1C(=O)N1CCC(CCN2CCCC2=O)CC1
InChIInChI=1S/C21H34N4O2/c1-4-25-19(15-18(22-25)14-16(2)3)21(27)24-12-8-17(9-13-24)7-11-23-10-5-6-20(23)26/h15-17H,4-14H2,1-3H3
InChIKeyINRFGUHVIPMTSH-UHFFFAOYSA-N
XLogP2.97
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[2-[1-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperidin-4-yl]ethyl]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-[2-[1-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperidin-4-yl]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[1-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperidin-4-yl]ethyl]pyrrolidin-2-one (CID 70726417) is 1-[2-[1-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperidin-4-yl]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[1-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperidin-4-yl]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[1-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperidin-4-yl]ethyl]pyrrolidin-2-one is CCn1nc(CC(C)C)cc1C(=O)N1CCC(CCN2CCCC2=O)CC1.
What is the InChIKey of 1-[2-[1-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperidin-4-yl]ethyl]pyrrolidin-2-one?
The InChIKey is INRFGUHVIPMTSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O2/c1-4-25-19(15-18(22-25)14-16(2)3)21(27)24-12-8-17(9-13-24)7-11-23-10-5-6-20(23)26/h15-17H,4-14H2,1-3H3.
What are the key properties of 1-[2-[1-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperidin-4-yl]ethyl]pyrrolidin-2-one?
1-[2-[1-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperidin-4-yl]ethyl]pyrrolidin-2-one has a molecular weight of 374.53 g/mol, XLogP of 2.97, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperidin-4-yl]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 70726417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).