[(3aR,6aS)-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone

C14H18N4O2 — CID 138806010

IUPAC[(3aR,6aS)-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone
SMILESCn1ccn2ncc(C(=O)N3C[C@H]4CC(O)C[C@H]4C3)c12
InChIInChI=1S/C14H18N4O2/c1-16-2-3-18-13(16)12(6-15-18)14(20)17-7-9-4-11(19)5-10(9)8-17/h2-3,6,9-11,19H,4-5,7-8H2,1H3/t9-,10+,11?
InChIKeyYAQVQJSYABYWQP-ZACCUICWSA-N
MW274.32 g/mol
LogP0.52
Rot. Bonds1

About [(3aR,6aS)-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone

[(3aR,6aS)-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone (PubChem CID 138806010) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is [(3aR,6aS)-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone.

Molecular Properties

Compound Name[(3aR,6aS)-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone
PubChem CID138806010
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name[(3aR,6aS)-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone
SMILESCn1ccn2ncc(C(=O)N3C[C@H]4CC(O)C[C@H]4C3)c12
InChIInChI=1S/C14H18N4O2/c1-16-2-3-18-13(16)12(6-15-18)14(20)17-7-9-4-11(19)5-10(9)8-17/h2-3,6,9-11,19H,4-5,7-8H2,1H3/t9-,10+,11?
InChIKeyYAQVQJSYABYWQP-ZACCUICWSA-N
XLogP0.52
TPSA62.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(3aR,6aS)-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone with MolForge

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Related Compounds

(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
[(3S,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone
CID 155507320
[(3aR,7S,7aS)-7-ethyl-7-hydroxy-3,3a,4,5,6,7a-hexahydro-1H-isoindol-2-yl]-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone
CID 162628511
[(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone
CID 155504162
[(3R)-1-[1-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 95558047
(1S,2S,8S,11R,16S)-11-methyl-18-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)-8-propan-2-yl-7,14,18-triazatricyclo[14.3.1.02,14]icosane-6,13-dione
CID 155972078
(3S)-2-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 95144384
2-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 50981337
(1-methylimidazo[2,1-e]pyrazol-7-yl)-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)methanone
CID 135118088
(1-methylimidazo[2,1-e]pyrazol-7-yl)-[(5S)-5-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 165417641
(1-methylimidazo[2,1-e]pyrazol-7-yl)-[(3R)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 95213744
benzyl N-[(3S)-1-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)pyrrolidin-3-yl]carbamate
CID 99957560

Frequently Asked Questions

What is the IUPAC name of [(3aR,6aS)-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone?
The IUPAC name of [(3aR,6aS)-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone (CID 138806010) is [(3aR,6aS)-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone.
What is the SMILES notation for [(3aR,6aS)-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone?
The canonical SMILES for [(3aR,6aS)-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone is Cn1ccn2ncc(C(=O)N3C[C@H]4CC(O)C[C@H]4C3)c12.
What is the InChIKey of [(3aR,6aS)-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone?
The InChIKey is YAQVQJSYABYWQP-ZACCUICWSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-16-2-3-18-13(16)12(6-15-18)14(20)17-7-9-4-11(19)5-10(9)8-17/h2-3,6,9-11,19H,4-5,7-8H2,1H3/t9-,10+,11?.
What are the key properties of [(3aR,6aS)-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone?
[(3aR,6aS)-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone has a molecular weight of 274.32 g/mol, XLogP of 0.52, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,6aS)-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone is sourced from PubChem (CID 138806010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).