(3aS,6aS)-N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrole-3a-carboxamide

C15H22N4O2 — CID 138011269

IUPAC(3aS,6aS)-N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrole-3a-carboxamide
SMILESCn1nc(CNC(=O)[C@]23CNC[C@H]2COC3)cc1C1CC1
InChIInChI=1S/C15H22N4O2/c1-19-13(10-2-3-10)4-12(18-19)6-17-14(20)15-8-16-5-11(15)7-21-9-15/h4,10-11,16H,2-3,5-9H2,1H3,(H,17,20)/t11-,15-/m0/s1
InChIKeyKAGRQNQGXOAHLD-NHYWBVRUSA-N
MW290.37 g/mol
LogP0.15
Rot. Bonds4

About (3aS,6aS)-N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrole-3a-carboxamide

(3aS,6aS)-N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrole-3a-carboxamide (PubChem CID 138011269) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is (3aS,6aS)-N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrole-3a-carboxamide.

Molecular Properties

Compound Name(3aS,6aS)-N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrole-3a-carboxamide
PubChem CID138011269
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name(3aS,6aS)-N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrole-3a-carboxamide
SMILESCn1nc(CNC(=O)[C@]23CNC[C@H]2COC3)cc1C1CC1
InChIInChI=1S/C15H22N4O2/c1-19-13(10-2-3-10)4-12(18-19)6-17-14(20)15-8-16-5-11(15)7-21-9-15/h4,10-11,16H,2-3,5-9H2,1H3,(H,17,20)/t11-,15-/m0/s1
InChIKeyKAGRQNQGXOAHLD-NHYWBVRUSA-N
XLogP0.15
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3aS,6aS)-N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrole-3a-carboxamide with MolForge

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Related Compounds

N-Cyclopropyl-1-[(1,3-dimethyl-1H-pyrazol-5-YL)methyl]-4-(methoxymethyl)pyrrolidine-3-carboxamide
CID 110203741
(3S)-N-[2-(1,5-dimethylpyrazol-3-yl)ethyl]oxolane-3-carboxamide
CID 124875006
N-[[(3R)-3-methyloxolan-3-yl]methyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide
CID 164632286
N-((2-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)methyl)tetrahydrofuran-3-carboxamide
CID 91819392
(3aR)-N-cyclohexyl-5-[3-(2-methylpyrazol-3-yl)propanoyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide
CID 168452499
N-(2-(1,5-dimethyl-1H-pyrazol-3-yl)ethyl)tetrahydrofuran-3-carboxamide
CID 92109219
(3S)-N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]oxolane-3-carboxamide
CID 100759262
(3R)-N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]oxolane-3-carboxamide
CID 100759267
1-[(1,3-Dimethyl-1H-pyrazol-5-YL)methyl]-4-(methoxymethyl)-N-methylpyrrolidine-3-carboxamide
CID 124078064
(3R)-N-[2-(1,5-dimethylpyrazol-3-yl)ethyl]oxolane-3-carboxamide
CID 124875014
N-[(3-methyloxolan-3-yl)methyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide
CID 128548968
N-[[(3aR,6aR)-5-[2-(1-methylpyrazol-3-yl)acetyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-2-cyclopropylacetamide
CID 129553612

Frequently Asked Questions

What is the IUPAC name of (3aS,6aS)-N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrole-3a-carboxamide?
The IUPAC name of (3aS,6aS)-N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrole-3a-carboxamide (CID 138011269) is (3aS,6aS)-N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrole-3a-carboxamide.
What is the SMILES notation for (3aS,6aS)-N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrole-3a-carboxamide?
The canonical SMILES for (3aS,6aS)-N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrole-3a-carboxamide is Cn1nc(CNC(=O)[C@]23CNC[C@H]2COC3)cc1C1CC1.
What is the InChIKey of (3aS,6aS)-N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrole-3a-carboxamide?
The InChIKey is KAGRQNQGXOAHLD-NHYWBVRUSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-19-13(10-2-3-10)4-12(18-19)6-17-14(20)15-8-16-5-11(15)7-21-9-15/h4,10-11,16H,2-3,5-9H2,1H3,(H,17,20)/t11-,15-/m0/s1.
What are the key properties of (3aS,6aS)-N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrole-3a-carboxamide?
(3aS,6aS)-N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrole-3a-carboxamide has a molecular weight of 290.37 g/mol, XLogP of 0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aS)-N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrole-3a-carboxamide is sourced from PubChem (CID 138011269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).