(3aS,5S,6aS)-4-[(1-benzylpyrazol-4-yl)methyl]-N-cyclopropyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-5-carboxamide

C21H26N4O2 — CID 138012938

IUPAC(3aS,5S,6aS)-4-[(1-benzylpyrazol-4-yl)methyl]-N-cyclopropyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-5-carboxamide
SMILESO=C(NC1CC1)[C@@H]1C[C@@H]2OCC[C@@H]2N1Cc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C21H26N4O2/c26-21(23-17-6-7-17)19-10-20-18(8-9-27-20)25(19)14-16-11-22-24(13-16)12-15-4-2-1-3-5-15/h1-5,11,13,17-20H,6-10,12,14H2,(H,23,26)/t18-,19-,20-/m0/s1
InChIKeyUMMCNGLXIWSKNA-UFYCRDLUSA-N
MW366.46 g/mol
LogP1.94
Rot. Bonds6

About (3aS,5S,6aS)-4-[(1-benzylpyrazol-4-yl)methyl]-N-cyclopropyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-5-carboxamide

(3aS,5S,6aS)-4-[(1-benzylpyrazol-4-yl)methyl]-N-cyclopropyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-5-carboxamide (PubChem CID 138012938) has the molecular formula C21H26N4O2 and a molecular weight of 366.46 g/mol. Its IUPAC name is (3aS,5S,6aS)-4-[(1-benzylpyrazol-4-yl)methyl]-N-cyclopropyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name(3aS,5S,6aS)-4-[(1-benzylpyrazol-4-yl)methyl]-N-cyclopropyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-5-carboxamide
PubChem CID138012938
Molecular FormulaC21H26N4O2
Molecular Weight366.46 g/mol
Exact Mass366.21
IUPAC Name(3aS,5S,6aS)-4-[(1-benzylpyrazol-4-yl)methyl]-N-cyclopropyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-5-carboxamide
SMILESO=C(NC1CC1)[C@@H]1C[C@@H]2OCC[C@@H]2N1Cc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C21H26N4O2/c26-21(23-17-6-7-17)19-10-20-18(8-9-27-20)25(19)14-16-11-22-24(13-16)12-15-4-2-1-3-5-15/h1-5,11,13,17-20H,6-10,12,14H2,(H,23,26)/t18-,19-,20-/m0/s1
InChIKeyUMMCNGLXIWSKNA-UFYCRDLUSA-N
XLogP1.94
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3aS,5S,6aS)-4-[(1-benzylpyrazol-4-yl)methyl]-N-cyclopropyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-5-carboxamide with MolForge

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Related Compounds

2-(1-benzylpyrazol-4-yl)oxolane-3-carboxylic acid
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3-[(1-benzylpyrazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 75498105
N-cyclopropyl-1-[(1-phenylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide
CID 78851425
N-[(1-benzylpyrazol-4-yl)methyl]-2,3,4,5-tetrahydro-1-benzoxepine-4-carboxamide
CID 72872678
3-amino-N-[(1-benzylpyrazol-4-yl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119728085
4-[(1-benzylpyrazol-4-yl)amino]cyclohexan-1-ol
CID 82539345
(3aS,6R,7aS)-N-cyclopropyl-4-(furan-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide
CID 124785768
(2R,3S)-4-[(1-benzylpyrazol-4-yl)methyl]-2-methylmorpholine-3-carboxamide
CID 128983261
(2S,3S)-2-(1-benzylpyrazol-4-yl)-N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]oxolane-3-carboxamide
CID 129325519
1-benzyl-4-[[3-(oxan-4-yl)azetidin-1-yl]methyl]pyrazole
CID 167856271
(2S,3aS,7aS)-6-benzyl-N-cyclopropyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 97366737

Frequently Asked Questions

What is the IUPAC name of (3aS,5S,6aS)-4-[(1-benzylpyrazol-4-yl)methyl]-N-cyclopropyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of (3aS,5S,6aS)-4-[(1-benzylpyrazol-4-yl)methyl]-N-cyclopropyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-5-carboxamide (CID 138012938) is (3aS,5S,6aS)-4-[(1-benzylpyrazol-4-yl)methyl]-N-cyclopropyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for (3aS,5S,6aS)-4-[(1-benzylpyrazol-4-yl)methyl]-N-cyclopropyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for (3aS,5S,6aS)-4-[(1-benzylpyrazol-4-yl)methyl]-N-cyclopropyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-5-carboxamide is O=C(NC1CC1)[C@@H]1C[C@@H]2OCC[C@@H]2N1Cc1cnn(Cc2ccccc2)c1.
What is the InChIKey of (3aS,5S,6aS)-4-[(1-benzylpyrazol-4-yl)methyl]-N-cyclopropyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-5-carboxamide?
The InChIKey is UMMCNGLXIWSKNA-UFYCRDLUSA-N. The full InChI is InChI=1S/C21H26N4O2/c26-21(23-17-6-7-17)19-10-20-18(8-9-27-20)25(19)14-16-11-22-24(13-16)12-15-4-2-1-3-5-15/h1-5,11,13,17-20H,6-10,12,14H2,(H,23,26)/t18-,19-,20-/m0/s1.
What are the key properties of (3aS,5S,6aS)-4-[(1-benzylpyrazol-4-yl)methyl]-N-cyclopropyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-5-carboxamide?
(3aS,5S,6aS)-4-[(1-benzylpyrazol-4-yl)methyl]-N-cyclopropyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-5-carboxamide has a molecular weight of 366.46 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,5S,6aS)-4-[(1-benzylpyrazol-4-yl)methyl]-N-cyclopropyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 138012938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).