(3S)-3-[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methylamino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one

C17H26N4O — CID 124744072

IUPAC(3S)-3-[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methylamino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one
SMILESCC1=CCC[C@H](C)[C@@H]1CN[C@H]1CCN(c2cnn(C)c2)C1=O
InChIInChI=1S/C17H26N4O/c1-12-5-4-6-13(2)15(12)10-18-16-7-8-21(17(16)22)14-9-19-20(3)11-14/h5,9,11,13,15-16,18H,4,6-8,10H2,1-3H3/t13-,15+,16-/m0/s1
InChIKeyZJUHQXQVLAXZSC-IMJJTQAJSA-N
MW302.42 g/mol
LogP2.11
Rot. Bonds4

About (3S)-3-[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methylamino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one

(3S)-3-[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methylamino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one (PubChem CID 124744072) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is (3S)-3-[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methylamino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-3-[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methylamino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one
PubChem CID124744072
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC Name(3S)-3-[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methylamino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one
SMILESCC1=CCC[C@H](C)[C@@H]1CN[C@H]1CCN(c2cnn(C)c2)C1=O
InChIInChI=1S/C17H26N4O/c1-12-5-4-6-13(2)15(12)10-18-16-7-8-21(17(16)22)14-9-19-20(3)11-14/h5,9,11,13,15-16,18H,4,6-8,10H2,1-3H3/t13-,15+,16-/m0/s1
InChIKeyZJUHQXQVLAXZSC-IMJJTQAJSA-N
XLogP2.11
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (3S)-3-[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]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

Related Compounds

3-[(3-methylcyclohexyl)methylamino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one
CID 119128338
1-(1-methylpyrazol-4-yl)-3-[(6-methyl-2-pyridinyl)amino]pyrrolidin-2-one
CID 133483353
(4S,5R)-4-[[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methylamino]methyl]-1-methyl-5-(1-methylpyrazol-4-yl)pyrrolidin-2-one
CID 129336602
(8S)-N-[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 124736808
6-[[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]pyridine-2-carboxylic acid
CID 122053869
1-(2,6-dimethylcyclohex-2-en-1-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 131963483
1-(1-methylpyrazol-4-yl)-3-(2-pyrazol-1-ylethylamino)piperidin-2-one
CID 127354102
1-(1-methylpyrazol-4-yl)-3-(pyridin-2-ylamino)pyrrolidin-2-one
CID 133306421
(3S)-3-[[(2S)-1-(4-methoxyphenyl)propan-2-yl]amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one
CID 97101455
(3R)-3-[[(2R)-1-(4-methoxyphenyl)propan-2-yl]amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one
CID 97101454
(Z)-N-[(3S)-1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-3-phenylprop-2-enamide
CID 98525887
(3S)-1-(1-methylpyrazol-4-yl)-3-[[(1R,3S)-3-(trifluoromethyl)cyclohexyl]amino]pyrrolidin-2-one
CID 99621152

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methylamino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one?
The IUPAC name of (3S)-3-[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methylamino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one (CID 124744072) is (3S)-3-[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methylamino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one.
What is the SMILES notation for (3S)-3-[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methylamino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one?
The canonical SMILES for (3S)-3-[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methylamino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one is CC1=CCC[C@H](C)[C@@H]1CN[C@H]1CCN(c2cnn(C)c2)C1=O.
What is the InChIKey of (3S)-3-[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methylamino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one?
The InChIKey is ZJUHQXQVLAXZSC-IMJJTQAJSA-N. The full InChI is InChI=1S/C17H26N4O/c1-12-5-4-6-13(2)15(12)10-18-16-7-8-21(17(16)22)14-9-19-20(3)11-14/h5,9,11,13,15-16,18H,4,6-8,10H2,1-3H3/t13-,15+,16-/m0/s1.
What are the key properties of (3S)-3-[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methylamino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one?
(3S)-3-[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methylamino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one has a molecular weight of 302.42 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methylamino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one is sourced from PubChem (CID 124744072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).