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

C16H26N4 — CID 102681665

IUPAC1-[(1-cyclopentylpyrazol-3-yl)methyl]-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
SMILESc1cn(C2CCCC2)nc1CN1CCCC2CNCC21
InChIInChI=1S/C16H26N4/c1-2-6-15(5-1)20-9-7-14(18-20)12-19-8-3-4-13-10-17-11-16(13)19/h7,9,13,15-17H,1-6,8,10-12H2
InChIKeyHSGDJUWNYLOZMZ-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.18
Rot. Bonds3

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

1-[(1-cyclopentylpyrazol-3-yl)methyl]-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine (PubChem CID 102681665) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-[(1-cyclopentylpyrazol-3-yl)methyl]-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine.

Molecular Properties

Compound Name1-[(1-cyclopentylpyrazol-3-yl)methyl]-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
PubChem CID102681665
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC Name1-[(1-cyclopentylpyrazol-3-yl)methyl]-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
SMILESc1cn(C2CCCC2)nc1CN1CCCC2CNCC21
InChIInChI=1S/C16H26N4/c1-2-6-15(5-1)20-9-7-14(18-20)12-19-8-3-4-13-10-17-11-16(13)19/h7,9,13,15-17H,1-6,8,10-12H2
InChIKeyHSGDJUWNYLOZMZ-UHFFFAOYSA-N
XLogP2.18
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

5-[(1-cyclohexylpyrazol-3-yl)methyl]-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66209789
2-[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidin-2-yl]acetic acid
CID 64783454
N-[[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]cyclopropanamine
CID 64784555
1-[(4-ethylphenyl)methyl]-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102677875
(3S,4S)-3-[(2R)-1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidin-2-yl]-4-methyloxan-4-ol
CID 129491662
1-cyclohexyl-3-ethylpyrazole
CID 66014335
1-(furan-3-ylmethyl)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102677830
1-[(1-cyclohexylpyrazol-3-yl)methyl]piperazine-2,6-dione
CID 66062253
4-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-ylmethyl)-2-phenyl-1,3-oxazole
CID 102681708
ethyl 1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidine-2-carboxylate
CID 64778071
1-[(4-pyrazol-1-ylphenyl)methyl]-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102681260
4-[(1-cyclopentylpyrazol-3-yl)methyl]piperazine-1-sulfonamide
CID 75382047

Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclopentylpyrazol-3-yl)methyl]-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine?
The IUPAC name of 1-[(1-cyclopentylpyrazol-3-yl)methyl]-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine (CID 102681665) is 1-[(1-cyclopentylpyrazol-3-yl)methyl]-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine.
What is the SMILES notation for 1-[(1-cyclopentylpyrazol-3-yl)methyl]-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine?
The canonical SMILES for 1-[(1-cyclopentylpyrazol-3-yl)methyl]-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine is c1cn(C2CCCC2)nc1CN1CCCC2CNCC21.
What is the InChIKey of 1-[(1-cyclopentylpyrazol-3-yl)methyl]-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine?
The InChIKey is HSGDJUWNYLOZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c1-2-6-15(5-1)20-9-7-14(18-20)12-19-8-3-4-13-10-17-11-16(13)19/h7,9,13,15-17H,1-6,8,10-12H2.
What are the key properties of 1-[(1-cyclopentylpyrazol-3-yl)methyl]-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine?
1-[(1-cyclopentylpyrazol-3-yl)methyl]-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine has a molecular weight of 274.41 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-cyclopentylpyrazol-3-yl)methyl]-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine is sourced from PubChem (CID 102681665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).