3-[(3-methylcyclohexyl)methylamino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one

C16H26N4O — CID 119128338

IUPAC3-[(3-methylcyclohexyl)methylamino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one
SMILESCC1CCCC(CNC2CCN(c3cnn(C)c3)C2=O)C1
InChIInChI=1S/C16H26N4O/c1-12-4-3-5-13(8-12)9-17-15-6-7-20(16(15)21)14-10-18-19(2)11-14/h10-13,15,17H,3-9H2,1-2H3
InChIKeyTWBCLGDEONIXBK-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.94
Rot. Bonds4

About 3-[(3-methylcyclohexyl)methylamino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one

3-[(3-methylcyclohexyl)methylamino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one (PubChem CID 119128338) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-[(3-methylcyclohexyl)methylamino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-[(3-methylcyclohexyl)methylamino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one
PubChem CID119128338
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name3-[(3-methylcyclohexyl)methylamino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one
SMILESCC1CCCC(CNC2CCN(c3cnn(C)c3)C2=O)C1
InChIInChI=1S/C16H26N4O/c1-12-4-3-5-13(8-12)9-17-15-6-7-20(16(15)21)14-10-18-19(2)11-14/h10-13,15,17H,3-9H2,1-2H3
InChIKeyTWBCLGDEONIXBK-UHFFFAOYSA-N
XLogP1.94
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(3-methylcyclohexyl)methylamino]-1-(1-methylpyrazol-4-yl)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 3-[(3-methylcyclohexyl)methylamino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one?
The IUPAC name of 3-[(3-methylcyclohexyl)methylamino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one (CID 119128338) is 3-[(3-methylcyclohexyl)methylamino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one.
What is the SMILES notation for 3-[(3-methylcyclohexyl)methylamino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one?
The canonical SMILES for 3-[(3-methylcyclohexyl)methylamino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one is CC1CCCC(CNC2CCN(c3cnn(C)c3)C2=O)C1.
What is the InChIKey of 3-[(3-methylcyclohexyl)methylamino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one?
The InChIKey is TWBCLGDEONIXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-12-4-3-5-13(8-12)9-17-15-6-7-20(16(15)21)14-10-18-19(2)11-14/h10-13,15,17H,3-9H2,1-2H3.
What are the key properties of 3-[(3-methylcyclohexyl)methylamino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one?
3-[(3-methylcyclohexyl)methylamino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one has a molecular weight of 290.41 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methylcyclohexyl)methylamino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one is sourced from PubChem (CID 119128338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).