N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-3-carboxamide

C17H24N4O3 — CID 134127321

IUPACN-[2-(1,3-benzodioxol-5-yl)ethyl]-5-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCN1CCC2NNC(C(=O)NCCc3ccc4c(c3)OCO4)C2C1
InChIInChI=1S/C17H24N4O3/c1-21-7-5-13-12(9-21)16(20-19-13)17(22)18-6-4-11-2-3-14-15(8-11)24-10-23-14/h2-3,8,12-13,16,19-20H,4-7,9-10H2,1H3,(H,18,22)
InChIKeyUWVVUMGWRMFDQA-UHFFFAOYSA-N
MW332.40 g/mol
LogP-0.13
Rot. Bonds4

About N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-3-carboxamide

N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 134127321) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1,3-benzodioxol-5-yl)ethyl]-5-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID134127321
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC NameN-[2-(1,3-benzodioxol-5-yl)ethyl]-5-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCN1CCC2NNC(C(=O)NCCc3ccc4c(c3)OCO4)C2C1
InChIInChI=1S/C17H24N4O3/c1-21-7-5-13-12(9-21)16(20-19-13)17(22)18-6-4-11-2-3-14-15(8-11)24-10-23-14/h2-3,8,12-13,16,19-20H,4-7,9-10H2,1H3,(H,18,22)
InChIKeyUWVVUMGWRMFDQA-UHFFFAOYSA-N
XLogP-0.13
TPSA74.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-3-carboxamide with MolForge

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Related Compounds

[3-(1,3-benzodioxol-5-ylmethyl)-3-methylpiperidin-1-yl]-(5-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-3-yl)methanone
CID 134090001
N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 87000385
1-[2-(1,3-benzodioxol-5-yl)ethyl]-2-methyl-3-[2-(1-methylpiperidin-4-yl)ethyl]guanidine;hydroiodide
CID 111380150
(2R)-N-[2-(1,3-benzodioxol-5-yl)ethyl]-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 125439858
(2S)-N-[2-(1,3-benzodioxol-5-yl)ethyl]-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 125439859
N-[2-(1,3-benzodioxol-5-yl)ethyl]morpholine-4-carboxamide
CID 34673472
N-[2-(1,3-benzodioxol-5-yl)ethyl]piperidine-1-carboxamide
CID 113217356
N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-phenylpyrazolidine-3-carboxamide
CID 52975622
1-[2-(1,3-benzodioxol-5-yl)ethyl]-3-[4-(4-methylpiperidin-1-yl)butyl]urea
CID 87000378
cis-(1S,2R)-2-[2-(1,3-benzodioxol-5-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 125153991
(2R,4R)-N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 125148120
N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(ethylamino)acetamide
CID 115158021

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-3-carboxamide (CID 134127321) is N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-3-carboxamide is CN1CCC2NNC(C(=O)NCCc3ccc4c(c3)OCO4)C2C1.
What is the InChIKey of N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is UWVVUMGWRMFDQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-21-7-5-13-12(9-21)16(20-19-13)17(22)18-6-4-11-2-3-14-15(8-11)24-10-23-14/h2-3,8,12-13,16,19-20H,4-7,9-10H2,1H3,(H,18,22).
What are the key properties of N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-3-carboxamide?
N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 332.40 g/mol, XLogP of -0.13, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 134127321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).