1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine

C14H24N4O — CID 102678165

IUPAC1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
SMILESCOc1c(CN2CCCC3CNCC32)c(C)nn1C
InChIInChI=1S/C14H24N4O/c1-10-12(14(19-3)17(2)16-10)9-18-6-4-5-11-7-15-8-13(11)18/h11,13,15H,4-9H2,1-3H3
InChIKeyPQEUZNAGUCJMQE-UHFFFAOYSA-N
MW264.37 g/mol
LogP0.92
Rot. Bonds3

About 1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine

1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine (PubChem CID 102678165) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine.

Molecular Properties

Compound Name1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
PubChem CID102678165
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
SMILESCOc1c(CN2CCCC3CNCC32)c(C)nn1C
InChIInChI=1S/C14H24N4O/c1-10-12(14(19-3)17(2)16-10)9-18-6-4-5-11-7-15-8-13(11)18/h11,13,15H,4-9H2,1-3H3
InChIKeyPQEUZNAGUCJMQE-UHFFFAOYSA-N
XLogP0.92
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine with MolForge

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Related Compounds

(2S)-2-(1,3-dioxolan-2-yl)-1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]piperidine
CID 97158804
1-[(2,3,4,5,6-pentafluorophenyl)methyl]-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102681551
1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102681848
1-(2-methoxyethyl)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102681300
1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-amine
CID 113463461
1-[(3-propan-2-ylimidazol-4-yl)methyl]-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678053
1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102681461
1-[(2,5-dimethoxyphenyl)methyl]-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678003
1-(2-propan-2-yloxyethyl)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102681888
1-[(4-ethylphenyl)methyl]-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102677875
5-[2-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)ethyl]-4-methyl-1,3-thiazole
CID 102681662
1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3-(2-methyl-1,3-dioxolan-2-yl)piperidine
CID 86788978

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine?
The IUPAC name of 1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine (CID 102678165) is 1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine.
What is the SMILES notation for 1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine?
The canonical SMILES for 1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine is COc1c(CN2CCCC3CNCC32)c(C)nn1C.
What is the InChIKey of 1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine?
The InChIKey is PQEUZNAGUCJMQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-10-12(14(19-3)17(2)16-10)9-18-6-4-5-11-7-15-8-13(11)18/h11,13,15H,4-9H2,1-3H3.
What are the key properties of 1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine?
1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine has a molecular weight of 264.37 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine is sourced from PubChem (CID 102678165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).