(3aR,6aR)-5-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide

C15H24N4O2 — CID 97422243

IUPAC(3aR,6aR)-5-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide
SMILESCC(C)NC(=O)[C@]12COC[C@H]1CN(Cc1cnn(C)c1)C2
InChIInChI=1S/C15H24N4O2/c1-11(2)17-14(20)15-9-19(7-13(15)8-21-10-15)6-12-4-16-18(3)5-12/h4-5,11,13H,6-10H2,1-3H3,(H,17,20)/t13-,15-/m1/s1
InChIKeyHZRVAVGQYLSWNJ-UKRRQHHQSA-N
MW292.38 g/mol
LogP0.39
Rot. Bonds4

About (3aR,6aR)-5-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide

(3aR,6aR)-5-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide (PubChem CID 97422243) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is (3aR,6aR)-5-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide.

Molecular Properties

Compound Name(3aR,6aR)-5-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide
PubChem CID97422243
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name(3aR,6aR)-5-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide
SMILESCC(C)NC(=O)[C@]12COC[C@H]1CN(Cc1cnn(C)c1)C2
InChIInChI=1S/C15H24N4O2/c1-11(2)17-14(20)15-9-19(7-13(15)8-21-10-15)6-12-4-16-18(3)5-12/h4-5,11,13H,6-10H2,1-3H3,(H,17,20)/t13-,15-/m1/s1
InChIKeyHZRVAVGQYLSWNJ-UKRRQHHQSA-N
XLogP0.39
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3aR,6aR)-5-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3aR,6aR)-5-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide?
The IUPAC name of (3aR,6aR)-5-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide (CID 97422243) is (3aR,6aR)-5-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide.
What is the SMILES notation for (3aR,6aR)-5-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide?
The canonical SMILES for (3aR,6aR)-5-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide is CC(C)NC(=O)[C@]12COC[C@H]1CN(Cc1cnn(C)c1)C2.
What is the InChIKey of (3aR,6aR)-5-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide?
The InChIKey is HZRVAVGQYLSWNJ-UKRRQHHQSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-11(2)17-14(20)15-9-19(7-13(15)8-21-10-15)6-12-4-16-18(3)5-12/h4-5,11,13H,6-10H2,1-3H3,(H,17,20)/t13-,15-/m1/s1.
What are the key properties of (3aR,6aR)-5-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide?
(3aR,6aR)-5-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 0.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aR)-5-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide is sourced from PubChem (CID 97422243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).