(3aS,6aS)-5-(2-chloro-5-pyrazol-1-ylbenzoyl)-1,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-2-one

C16H15ClN4O2 — CID 146044148

IUPAC(3aS,6aS)-5-(2-chloro-5-pyrazol-1-ylbenzoyl)-1,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-2-one
SMILESO=C1C[C@H]2CN(C(=O)c3cc(-n4cccn4)ccc3Cl)C[C@H]2N1
InChIInChI=1S/C16H15ClN4O2/c17-13-3-2-11(21-5-1-4-18-21)7-12(13)16(23)20-8-10-6-15(22)19-14(10)9-20/h1-5,7,10,14H,6,8-9H2,(H,19,22)/t10-,14+/m0/s1
InChIKeyMWYXCKXFQUAHKX-IINYFYTJSA-N
MW330.78 g/mol
LogP1.49
Rot. Bonds2

About (3aS,6aS)-5-(2-chloro-5-pyrazol-1-ylbenzoyl)-1,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-2-one

(3aS,6aS)-5-(2-chloro-5-pyrazol-1-ylbenzoyl)-1,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-2-one (PubChem CID 146044148) has the molecular formula C16H15ClN4O2 and a molecular weight of 330.78 g/mol. Its IUPAC name is (3aS,6aS)-5-(2-chloro-5-pyrazol-1-ylbenzoyl)-1,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-2-one.

Molecular Properties

Compound Name(3aS,6aS)-5-(2-chloro-5-pyrazol-1-ylbenzoyl)-1,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-2-one
PubChem CID146044148
Molecular FormulaC16H15ClN4O2
Molecular Weight330.78 g/mol
Exact Mass330.09
IUPAC Name(3aS,6aS)-5-(2-chloro-5-pyrazol-1-ylbenzoyl)-1,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-2-one
SMILESO=C1C[C@H]2CN(C(=O)c3cc(-n4cccn4)ccc3Cl)C[C@H]2N1
InChIInChI=1S/C16H15ClN4O2/c17-13-3-2-11(21-5-1-4-18-21)7-12(13)16(23)20-8-10-6-15(22)19-14(10)9-20/h1-5,7,10,14H,6,8-9H2,(H,19,22)/t10-,14+/m0/s1
InChIKeyMWYXCKXFQUAHKX-IINYFYTJSA-N
XLogP1.49
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.78
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3aS,6aS)-5-(2-chloro-5-pyrazol-1-ylbenzoyl)-1,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-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

(3aS,6aS)-5-[2-(1,2,4-triazol-1-yl)benzoyl]-1,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-2-one
CID 154569468
(2S)-1-(2-chloro-5-pyrazol-1-ylbenzoyl)-2-methyl-1,4-diazepan-5-one
CID 95222617
(2-chloro-5-pyrazol-1-ylphenyl)-[(3S)-3-(3-methoxypropyl)piperidin-1-yl]methanone
CID 97134012
(3aS,6aS)-5-(1-oxo-2,3-dihydroindene-4-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-2-one
CID 146046163
(2-chloro-5-pyrazol-1-ylphenyl)-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 46975354
(3R,4R)-1-(2-chloro-5-pyrazol-1-ylbenzoyl)-4-hydroxy-3-propylpiperidine-3-carboxylic acid
CID 163319265
(3S)-2-(2-chloro-5-pyrazol-1-ylbenzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 92614568
2-chloro-N-(oxan-4-yl)-5-pyrazol-1-ylbenzamide
CID 119060260
1-(3,4-dichlorophenyl)pyrazole
CID 20572459
(3aS,6aS)-5-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-2-one;formic acid
CID 154892205
(2-chloro-5-pyrazol-1-ylphenyl)-[4-[(3-methyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]methanone
CID 92625750
(3aS,6aS)-5-(5-cyclohexyl-1H-pyrazole-4-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-2-one
CID 146038788

Frequently Asked Questions

What is the IUPAC name of (3aS,6aS)-5-(2-chloro-5-pyrazol-1-ylbenzoyl)-1,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-2-one?
The IUPAC name of (3aS,6aS)-5-(2-chloro-5-pyrazol-1-ylbenzoyl)-1,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-2-one (CID 146044148) is (3aS,6aS)-5-(2-chloro-5-pyrazol-1-ylbenzoyl)-1,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-2-one.
What is the SMILES notation for (3aS,6aS)-5-(2-chloro-5-pyrazol-1-ylbenzoyl)-1,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-2-one?
The canonical SMILES for (3aS,6aS)-5-(2-chloro-5-pyrazol-1-ylbenzoyl)-1,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-2-one is O=C1C[C@H]2CN(C(=O)c3cc(-n4cccn4)ccc3Cl)C[C@H]2N1.
What is the InChIKey of (3aS,6aS)-5-(2-chloro-5-pyrazol-1-ylbenzoyl)-1,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-2-one?
The InChIKey is MWYXCKXFQUAHKX-IINYFYTJSA-N. The full InChI is InChI=1S/C16H15ClN4O2/c17-13-3-2-11(21-5-1-4-18-21)7-12(13)16(23)20-8-10-6-15(22)19-14(10)9-20/h1-5,7,10,14H,6,8-9H2,(H,19,22)/t10-,14+/m0/s1.
What are the key properties of (3aS,6aS)-5-(2-chloro-5-pyrazol-1-ylbenzoyl)-1,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-2-one?
(3aS,6aS)-5-(2-chloro-5-pyrazol-1-ylbenzoyl)-1,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-2-one has a molecular weight of 330.78 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aS)-5-(2-chloro-5-pyrazol-1-ylbenzoyl)-1,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-2-one is sourced from PubChem (CID 146044148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).