(3aS,7aS)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-3a-carboxamide

C15H25N5O2 — CID 167806834

IUPAC(3aS,7aS)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-3a-carboxamide
SMILESCN(C)CCn1ccc(NC(=O)[C@]23CNC[C@H]2CCOC3)n1
InChIInChI=1S/C15H25N5O2/c1-19(2)6-7-20-5-3-13(18-20)17-14(21)15-10-16-9-12(15)4-8-22-11-15/h3,5,12,16H,4,6-11H2,1-2H3,(H,17,18,21)/t12-,15+/m1/s1
InChIKeyROJOPUVPIXNIEH-DOMZBBRYSA-N
MW307.40 g/mol
LogP0.01
Rot. Bonds5

About (3aS,7aS)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-3a-carboxamide

(3aS,7aS)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-3a-carboxamide (PubChem CID 167806834) has the molecular formula C15H25N5O2 and a molecular weight of 307.40 g/mol. Its IUPAC name is (3aS,7aS)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-3a-carboxamide.

Molecular Properties

Compound Name(3aS,7aS)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-3a-carboxamide
PubChem CID167806834
Molecular FormulaC15H25N5O2
Molecular Weight307.40 g/mol
Exact Mass307.20
IUPAC Name(3aS,7aS)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-3a-carboxamide
SMILESCN(C)CCn1ccc(NC(=O)[C@]23CNC[C@H]2CCOC3)n1
InChIInChI=1S/C15H25N5O2/c1-19(2)6-7-20-5-3-13(18-20)17-14(21)15-10-16-9-12(15)4-8-22-11-15/h3,5,12,16H,4,6-11H2,1-2H3,(H,17,18,21)/t12-,15+/m1/s1
InChIKeyROJOPUVPIXNIEH-DOMZBBRYSA-N
XLogP0.01
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3aS,7aS)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-3a-carboxamide with MolForge

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Related Compounds

N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-piperidin-4-ylbutanamide
CID 119870177
N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119870176
1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-[(1R)-1-[(3R)-oxolan-3-yl]prop-2-ynyl]urea
CID 99794112
(3aS,7aS)-N-propyl-2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-3a-carboxamide
CID 138014885
(3aS,7aS)-N-[2-(methylamino)ethyl]-2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-3a-carboxamide
CID 154844880
1-(4-chlorophenyl)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]cyclopentane-1-carboxamide
CID 47088976
(4aS,7aR)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide
CID 96997890
(3aS,7aS)-N-(2,2,2-trifluoroethyl)-2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-3a-carboxamide
CID 167785947
(3aS,7aS)-N-[(2,6-difluoro-4-methylphenyl)methyl]-2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-3a-carboxamide
CID 138011244
3-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]cyclohexane-1-carboxamide;dihydrochloride
CID 119870150
N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-1-phenylpyrrolidine-2-carboxamide
CID 139006084
(2S)-2-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-4-methylpentanamide
CID 119870197

Frequently Asked Questions

What is the IUPAC name of (3aS,7aS)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-3a-carboxamide?
The IUPAC name of (3aS,7aS)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-3a-carboxamide (CID 167806834) is (3aS,7aS)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-3a-carboxamide.
What is the SMILES notation for (3aS,7aS)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-3a-carboxamide?
The canonical SMILES for (3aS,7aS)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-3a-carboxamide is CN(C)CCn1ccc(NC(=O)[C@]23CNC[C@H]2CCOC3)n1.
What is the InChIKey of (3aS,7aS)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-3a-carboxamide?
The InChIKey is ROJOPUVPIXNIEH-DOMZBBRYSA-N. The full InChI is InChI=1S/C15H25N5O2/c1-19(2)6-7-20-5-3-13(18-20)17-14(21)15-10-16-9-12(15)4-8-22-11-15/h3,5,12,16H,4,6-11H2,1-2H3,(H,17,18,21)/t12-,15+/m1/s1.
What are the key properties of (3aS,7aS)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-3a-carboxamide?
(3aS,7aS)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-3a-carboxamide has a molecular weight of 307.40 g/mol, XLogP of 0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,7aS)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-3a-carboxamide is sourced from PubChem (CID 167806834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).