[(3aS,5S,6aS)-4-(4-chloro-1,5-dimethylpyrazole-3-carbonyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone

C17H23ClN4O3 — CID 138013164

IUPAC[(3aS,5S,6aS)-4-(4-chloro-1,5-dimethylpyrazole-3-carbonyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone
SMILESCc1c(Cl)c(C(=O)N2[C@H](C(=O)N3CCCC3)C[C@@H]3OCC[C@@H]32)nn1C
InChIInChI=1S/C17H23ClN4O3/c1-10-14(18)15(19-20(10)2)17(24)22-11-5-8-25-13(11)9-12(22)16(23)21-6-3-4-7-21/h11-13H,3-9H2,1-2H3/t11-,12-,13-/m0/s1
InChIKeyCBQRNEGLHQARTO-AVGNSLFASA-N
MW366.85 g/mol
LogP1.38
Rot. Bonds2

About [(3aS,5S,6aS)-4-(4-chloro-1,5-dimethylpyrazole-3-carbonyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone

[(3aS,5S,6aS)-4-(4-chloro-1,5-dimethylpyrazole-3-carbonyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone (PubChem CID 138013164) has the molecular formula C17H23ClN4O3 and a molecular weight of 366.85 g/mol. Its IUPAC name is [(3aS,5S,6aS)-4-(4-chloro-1,5-dimethylpyrazole-3-carbonyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[(3aS,5S,6aS)-4-(4-chloro-1,5-dimethylpyrazole-3-carbonyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone
PubChem CID138013164
Molecular FormulaC17H23ClN4O3
Molecular Weight366.85 g/mol
Exact Mass366.15
IUPAC Name[(3aS,5S,6aS)-4-(4-chloro-1,5-dimethylpyrazole-3-carbonyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone
SMILESCc1c(Cl)c(C(=O)N2[C@H](C(=O)N3CCCC3)C[C@@H]3OCC[C@@H]32)nn1C
InChIInChI=1S/C17H23ClN4O3/c1-10-14(18)15(19-20(10)2)17(24)22-11-5-8-25-13(11)9-12(22)16(23)21-6-3-4-7-21/h11-13H,3-9H2,1-2H3/t11-,12-,13-/m0/s1
InChIKeyCBQRNEGLHQARTO-AVGNSLFASA-N
XLogP1.38
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(3aS,5S,6aS)-4-(4-chloro-1,5-dimethylpyrazole-3-carbonyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone with MolForge

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Launch Full Analysis

Related Compounds

(4-chloro-1,5-dimethylpyrazol-3-yl)-[3-(morpholin-4-ylmethyl)azetidin-1-yl]methanone
CID 138035622
(4-chloro-1,5-dimethylpyrazol-3-yl)-piperazin-1-ylmethanone
CID 82511609
(4-chloro-1,5-dimethylpyrazol-3-yl)-[4-hydroxy-4-(hydroxymethyl)azepan-1-yl]methanone
CID 56884820
(4-chloro-1,5-dimethylpyrazol-3-yl)-[(3S)-3-ethylmorpholin-4-yl]methanone
CID 70772303
3-[1-(4-chloro-1,5-dimethylpyrazole-3-carbonyl)piperidin-3-yl]benzoic acid
CID 72923298
(4-chloro-1,5-dimethylpyrazol-3-yl)-(4-pyridin-3-ylpiperazin-1-yl)methanone
CID 72938609
4-chloro-1,5-dimethyl-N-[[(2R,3S)-2-(1H-pyrazol-4-yl)oxan-3-yl]methyl]pyrazole-3-carboxamide
CID 167760808
[1-methyl-3-(pyrrolidine-1-carbonyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(oxolan-2-yl)methanone
CID 91917560
[(4aS,8aR)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 129483467
(3aS,5S,6aS)-N-cyclopropyl-4-[2-(cyclopropylmethyl)-4-methyl-1,3-oxazole-5-carbonyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-5-carboxamide
CID 138013174
azepan-1-yl-(1-methylpyrrolidin-2-yl)methanone
CID 110856335
[(3aS,6R,7aS)-4-(thiophene-3-carbonyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-6-yl]-pyrrolidin-1-ylmethanone
CID 124793711

Frequently Asked Questions

What is the IUPAC name of [(3aS,5S,6aS)-4-(4-chloro-1,5-dimethylpyrazole-3-carbonyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [(3aS,5S,6aS)-4-(4-chloro-1,5-dimethylpyrazole-3-carbonyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone (CID 138013164) is [(3aS,5S,6aS)-4-(4-chloro-1,5-dimethylpyrazole-3-carbonyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [(3aS,5S,6aS)-4-(4-chloro-1,5-dimethylpyrazole-3-carbonyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [(3aS,5S,6aS)-4-(4-chloro-1,5-dimethylpyrazole-3-carbonyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone is Cc1c(Cl)c(C(=O)N2[C@H](C(=O)N3CCCC3)C[C@@H]3OCC[C@@H]32)nn1C.
What is the InChIKey of [(3aS,5S,6aS)-4-(4-chloro-1,5-dimethylpyrazole-3-carbonyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is CBQRNEGLHQARTO-AVGNSLFASA-N. The full InChI is InChI=1S/C17H23ClN4O3/c1-10-14(18)15(19-20(10)2)17(24)22-11-5-8-25-13(11)9-12(22)16(23)21-6-3-4-7-21/h11-13H,3-9H2,1-2H3/t11-,12-,13-/m0/s1.
What are the key properties of [(3aS,5S,6aS)-4-(4-chloro-1,5-dimethylpyrazole-3-carbonyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone?
[(3aS,5S,6aS)-4-(4-chloro-1,5-dimethylpyrazole-3-carbonyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 366.85 g/mol, XLogP of 1.38, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aS,5S,6aS)-4-(4-chloro-1,5-dimethylpyrazole-3-carbonyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 138013164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).