(3aR,5R,7aR)-N-cyclopropyl-1-[(1-methylpyrazol-4-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide

C16H24N4O2 — CID 97461732

IUPAC(3aR,5R,7aR)-N-cyclopropyl-1-[(1-methylpyrazol-4-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide
SMILESCn1cc(CN2CC[C@H]3O[C@@H](C(=O)NC4CC4)CC[C@H]32)cn1
InChIInChI=1S/C16H24N4O2/c1-19-9-11(8-17-19)10-20-7-6-14-13(20)4-5-15(22-14)16(21)18-12-2-3-12/h8-9,12-15H,2-7,10H2,1H3,(H,18,21)/t13-,14-,15-/m1/s1
InChIKeyXKSBUZMFSBUBAV-RBSFLKMASA-N
MW304.39 g/mol
LogP0.82
Rot. Bonds4

About (3aR,5R,7aR)-N-cyclopropyl-1-[(1-methylpyrazol-4-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide

(3aR,5R,7aR)-N-cyclopropyl-1-[(1-methylpyrazol-4-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide (PubChem CID 97461732) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is (3aR,5R,7aR)-N-cyclopropyl-1-[(1-methylpyrazol-4-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name(3aR,5R,7aR)-N-cyclopropyl-1-[(1-methylpyrazol-4-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide
PubChem CID97461732
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name(3aR,5R,7aR)-N-cyclopropyl-1-[(1-methylpyrazol-4-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide
SMILESCn1cc(CN2CC[C@H]3O[C@@H](C(=O)NC4CC4)CC[C@H]32)cn1
InChIInChI=1S/C16H24N4O2/c1-19-9-11(8-17-19)10-20-7-6-14-13(20)4-5-15(22-14)16(21)18-12-2-3-12/h8-9,12-15H,2-7,10H2,1H3,(H,18,21)/t13-,14-,15-/m1/s1
InChIKeyXKSBUZMFSBUBAV-RBSFLKMASA-N
XLogP0.82
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3aR,5R,7aR)-N-cyclopropyl-1-[(1-methylpyrazol-4-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3aR,5R,7aR)-N-cyclopropyl-1-[(1-methylpyrazol-4-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of (3aR,5R,7aR)-N-cyclopropyl-1-[(1-methylpyrazol-4-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide (CID 97461732) is (3aR,5R,7aR)-N-cyclopropyl-1-[(1-methylpyrazol-4-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for (3aR,5R,7aR)-N-cyclopropyl-1-[(1-methylpyrazol-4-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for (3aR,5R,7aR)-N-cyclopropyl-1-[(1-methylpyrazol-4-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide is Cn1cc(CN2CC[C@H]3O[C@@H](C(=O)NC4CC4)CC[C@H]32)cn1.
What is the InChIKey of (3aR,5R,7aR)-N-cyclopropyl-1-[(1-methylpyrazol-4-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide?
The InChIKey is XKSBUZMFSBUBAV-RBSFLKMASA-N. The full InChI is InChI=1S/C16H24N4O2/c1-19-9-11(8-17-19)10-20-7-6-14-13(20)4-5-15(22-14)16(21)18-12-2-3-12/h8-9,12-15H,2-7,10H2,1H3,(H,18,21)/t13-,14-,15-/m1/s1.
What are the key properties of (3aR,5R,7aR)-N-cyclopropyl-1-[(1-methylpyrazol-4-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide?
(3aR,5R,7aR)-N-cyclopropyl-1-[(1-methylpyrazol-4-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,5R,7aR)-N-cyclopropyl-1-[(1-methylpyrazol-4-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 97461732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).