1-[1-(1-tert-butyl-5-methylpyrazole-3-carbonyl)piperidin-3-yl]imidazolidin-2-one

C17H27N5O2 — CID 56821766

IUPAC1-[1-(1-tert-butyl-5-methylpyrazole-3-carbonyl)piperidin-3-yl]imidazolidin-2-one
SMILESCc1cc(C(=O)N2CCCC(N3CCNC3=O)C2)nn1C(C)(C)C
InChIInChI=1S/C17H27N5O2/c1-12-10-14(19-22(12)17(2,3)4)15(23)20-8-5-6-13(11-20)21-9-7-18-16(21)24/h10,13H,5-9,11H2,1-4H3,(H,18,24)
InChIKeySEOSTYZCCFGDNU-UHFFFAOYSA-N
MW333.44 g/mol
LogP1.58
Rot. Bonds2

About 1-[1-(1-tert-butyl-5-methylpyrazole-3-carbonyl)piperidin-3-yl]imidazolidin-2-one

1-[1-(1-tert-butyl-5-methylpyrazole-3-carbonyl)piperidin-3-yl]imidazolidin-2-one (PubChem CID 56821766) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is 1-[1-(1-tert-butyl-5-methylpyrazole-3-carbonyl)piperidin-3-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[1-(1-tert-butyl-5-methylpyrazole-3-carbonyl)piperidin-3-yl]imidazolidin-2-one
PubChem CID56821766
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC Name1-[1-(1-tert-butyl-5-methylpyrazole-3-carbonyl)piperidin-3-yl]imidazolidin-2-one
SMILESCc1cc(C(=O)N2CCCC(N3CCNC3=O)C2)nn1C(C)(C)C
InChIInChI=1S/C17H27N5O2/c1-12-10-14(19-22(12)17(2,3)4)15(23)20-8-5-6-13(11-20)21-9-7-18-16(21)24/h10,13H,5-9,11H2,1-4H3,(H,18,24)
InChIKeySEOSTYZCCFGDNU-UHFFFAOYSA-N
XLogP1.58
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[1-(1-tert-butyl-5-methylpyrazole-3-carbonyl)piperidin-3-yl]imidazolidin-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-(1-tert-butyl-5-methylpyrazole-3-carbonyl)piperidin-3-yl]imidazolidin-2-one?
The IUPAC name of 1-[1-(1-tert-butyl-5-methylpyrazole-3-carbonyl)piperidin-3-yl]imidazolidin-2-one (CID 56821766) is 1-[1-(1-tert-butyl-5-methylpyrazole-3-carbonyl)piperidin-3-yl]imidazolidin-2-one.
What is the SMILES notation for 1-[1-(1-tert-butyl-5-methylpyrazole-3-carbonyl)piperidin-3-yl]imidazolidin-2-one?
The canonical SMILES for 1-[1-(1-tert-butyl-5-methylpyrazole-3-carbonyl)piperidin-3-yl]imidazolidin-2-one is Cc1cc(C(=O)N2CCCC(N3CCNC3=O)C2)nn1C(C)(C)C.
What is the InChIKey of 1-[1-(1-tert-butyl-5-methylpyrazole-3-carbonyl)piperidin-3-yl]imidazolidin-2-one?
The InChIKey is SEOSTYZCCFGDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O2/c1-12-10-14(19-22(12)17(2,3)4)15(23)20-8-5-6-13(11-20)21-9-7-18-16(21)24/h10,13H,5-9,11H2,1-4H3,(H,18,24).
What are the key properties of 1-[1-(1-tert-butyl-5-methylpyrazole-3-carbonyl)piperidin-3-yl]imidazolidin-2-one?
1-[1-(1-tert-butyl-5-methylpyrazole-3-carbonyl)piperidin-3-yl]imidazolidin-2-one has a molecular weight of 333.44 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-tert-butyl-5-methylpyrazole-3-carbonyl)piperidin-3-yl]imidazolidin-2-one is sourced from PubChem (CID 56821766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).