(4S,5R)-4-[[[(1S,6R,7S)-8,8-dimethyl-7-bicyclo[4.2.0]octanyl]amino]methyl]-5-(1,5-dimethylpyrazol-4-yl)-1-methylpyrrolidin-2-one

C21H34N4O — CID 129335154

IUPAC(4S,5R)-4-[[[(1S,6R,7S)-8,8-dimethyl-7-bicyclo[4.2.0]octanyl]amino]methyl]-5-(1,5-dimethylpyrazol-4-yl)-1-methylpyrrolidin-2-one
SMILESCc1c([C@H]2[C@H](CN[C@H]3[C@@H]4CCCC[C@@H]4C3(C)C)CC(=O)N2C)cnn1C
InChIInChI=1S/C21H34N4O/c1-13-16(12-23-25(13)5)19-14(10-18(26)24(19)4)11-22-20-15-8-6-7-9-17(15)21(20,2)3/h12,14-15,17,19-20,22H,6-11H2,1-5H3/t14-,15+,17-,19+,20-/m0/s1
InChIKeyOUDHULFCOUSICS-VQJXYJGWSA-N
MW358.53 g/mol
LogP3.05
Rot. Bonds4

About (4S,5R)-4-[[[(1S,6R,7S)-8,8-dimethyl-7-bicyclo[4.2.0]octanyl]amino]methyl]-5-(1,5-dimethylpyrazol-4-yl)-1-methylpyrrolidin-2-one

(4S,5R)-4-[[[(1S,6R,7S)-8,8-dimethyl-7-bicyclo[4.2.0]octanyl]amino]methyl]-5-(1,5-dimethylpyrazol-4-yl)-1-methylpyrrolidin-2-one (PubChem CID 129335154) has the molecular formula C21H34N4O and a molecular weight of 358.53 g/mol. Its IUPAC name is (4S,5R)-4-[[[(1S,6R,7S)-8,8-dimethyl-7-bicyclo[4.2.0]octanyl]amino]methyl]-5-(1,5-dimethylpyrazol-4-yl)-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name(4S,5R)-4-[[[(1S,6R,7S)-8,8-dimethyl-7-bicyclo[4.2.0]octanyl]amino]methyl]-5-(1,5-dimethylpyrazol-4-yl)-1-methylpyrrolidin-2-one
PubChem CID129335154
Molecular FormulaC21H34N4O
Molecular Weight358.53 g/mol
Exact Mass358.27
IUPAC Name(4S,5R)-4-[[[(1S,6R,7S)-8,8-dimethyl-7-bicyclo[4.2.0]octanyl]amino]methyl]-5-(1,5-dimethylpyrazol-4-yl)-1-methylpyrrolidin-2-one
SMILESCc1c([C@H]2[C@H](CN[C@H]3[C@@H]4CCCC[C@@H]4C3(C)C)CC(=O)N2C)cnn1C
InChIInChI=1S/C21H34N4O/c1-13-16(12-23-25(13)5)19-14(10-18(26)24(19)4)11-22-20-15-8-6-7-9-17(15)21(20,2)3/h12,14-15,17,19-20,22H,6-11H2,1-5H3/t14-,15+,17-,19+,20-/m0/s1
InChIKeyOUDHULFCOUSICS-VQJXYJGWSA-N
XLogP3.05
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4S,5R)-4-[[[(1S,6R,7S)-8,8-dimethyl-7-bicyclo[4.2.0]octanyl]amino]methyl]-5-(1,5-dimethylpyrazol-4-yl)-1-methylpyrrolidin-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 (4S,5R)-4-[[[(1S,6R,7S)-8,8-dimethyl-7-bicyclo[4.2.0]octanyl]amino]methyl]-5-(1,5-dimethylpyrazol-4-yl)-1-methylpyrrolidin-2-one?
The IUPAC name of (4S,5R)-4-[[[(1S,6R,7S)-8,8-dimethyl-7-bicyclo[4.2.0]octanyl]amino]methyl]-5-(1,5-dimethylpyrazol-4-yl)-1-methylpyrrolidin-2-one (CID 129335154) is (4S,5R)-4-[[[(1S,6R,7S)-8,8-dimethyl-7-bicyclo[4.2.0]octanyl]amino]methyl]-5-(1,5-dimethylpyrazol-4-yl)-1-methylpyrrolidin-2-one.
What is the SMILES notation for (4S,5R)-4-[[[(1S,6R,7S)-8,8-dimethyl-7-bicyclo[4.2.0]octanyl]amino]methyl]-5-(1,5-dimethylpyrazol-4-yl)-1-methylpyrrolidin-2-one?
The canonical SMILES for (4S,5R)-4-[[[(1S,6R,7S)-8,8-dimethyl-7-bicyclo[4.2.0]octanyl]amino]methyl]-5-(1,5-dimethylpyrazol-4-yl)-1-methylpyrrolidin-2-one is Cc1c([C@H]2[C@H](CN[C@H]3[C@@H]4CCCC[C@@H]4C3(C)C)CC(=O)N2C)cnn1C.
What is the InChIKey of (4S,5R)-4-[[[(1S,6R,7S)-8,8-dimethyl-7-bicyclo[4.2.0]octanyl]amino]methyl]-5-(1,5-dimethylpyrazol-4-yl)-1-methylpyrrolidin-2-one?
The InChIKey is OUDHULFCOUSICS-VQJXYJGWSA-N. The full InChI is InChI=1S/C21H34N4O/c1-13-16(12-23-25(13)5)19-14(10-18(26)24(19)4)11-22-20-15-8-6-7-9-17(15)21(20,2)3/h12,14-15,17,19-20,22H,6-11H2,1-5H3/t14-,15+,17-,19+,20-/m0/s1.
What are the key properties of (4S,5R)-4-[[[(1S,6R,7S)-8,8-dimethyl-7-bicyclo[4.2.0]octanyl]amino]methyl]-5-(1,5-dimethylpyrazol-4-yl)-1-methylpyrrolidin-2-one?
(4S,5R)-4-[[[(1S,6R,7S)-8,8-dimethyl-7-bicyclo[4.2.0]octanyl]amino]methyl]-5-(1,5-dimethylpyrazol-4-yl)-1-methylpyrrolidin-2-one has a molecular weight of 358.53 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-4-[[[(1S,6R,7S)-8,8-dimethyl-7-bicyclo[4.2.0]octanyl]amino]methyl]-5-(1,5-dimethylpyrazol-4-yl)-1-methylpyrrolidin-2-one is sourced from PubChem (CID 129335154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).