2-(2-methoxy-4-pyridinyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole

C12H13N3O — CID 177050036

IUPAC2-(2-methoxy-4-pyridinyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole
SMILESCOc1cc(-n2cc3c(n2)CCC3)ccn1
InChIInChI=1S/C12H13N3O/c1-16-12-7-10(5-6-13-12)15-8-9-3-2-4-11(9)14-15/h5-8H,2-4H2,1H3
InChIKeyJDYWVZDQYVUOLP-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.76
Rot. Bonds2

About 2-(2-methoxy-4-pyridinyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole

2-(2-methoxy-4-pyridinyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole (PubChem CID 177050036) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 2-(2-methoxy-4-pyridinyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole.

Molecular Properties

Compound Name2-(2-methoxy-4-pyridinyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole
PubChem CID177050036
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name2-(2-methoxy-4-pyridinyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole
SMILESCOc1cc(-n2cc3c(n2)CCC3)ccn1
InChIInChI=1S/C12H13N3O/c1-16-12-7-10(5-6-13-12)15-8-9-3-2-4-11(9)14-15/h5-8H,2-4H2,1H3
InChIKeyJDYWVZDQYVUOLP-UHFFFAOYSA-N
XLogP1.76
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methoxyphenyl)-2-(pyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole
CID 21992651
1-(4-Methoxy-benzyl)-3-methyl-1h-pyrazole
CID 21628284
US11026923, Example 62
CID 155773331
N-[(6-methoxypyridin-3-yl)methyl]-2-methyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 46994141
N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(6-methoxy-3-pyridinyl)methanamine
CID 51104898
N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(2-methoxy-3-pyridinyl)methanamine
CID 51104993
1-(2-cyclopentyloxy-3-pyridinyl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]methanamine
CID 51105060
N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(2-propan-2-yloxy-3-pyridinyl)methanamine
CID 51105104
N-[(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(2-methoxy-3-pyridinyl)methanamine
CID 53513990
7-(methoxymethyl)-5-[(2-methoxy-3-pyridinyl)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine
CID 118739636
7-(ethoxymethyl)-5-[(2-methoxy-3-pyridinyl)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine
CID 118747134
2-Methoxy-5-(4-pyridin-3-yltriazol-2-yl)pyridine
CID 172434619

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-4-pyridinyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole?
The IUPAC name of 2-(2-methoxy-4-pyridinyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole (CID 177050036) is 2-(2-methoxy-4-pyridinyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole.
What is the SMILES notation for 2-(2-methoxy-4-pyridinyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole?
The canonical SMILES for 2-(2-methoxy-4-pyridinyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole is COc1cc(-n2cc3c(n2)CCC3)ccn1.
What is the InChIKey of 2-(2-methoxy-4-pyridinyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole?
The InChIKey is JDYWVZDQYVUOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-16-12-7-10(5-6-13-12)15-8-9-3-2-4-11(9)14-15/h5-8H,2-4H2,1H3.
What are the key properties of 2-(2-methoxy-4-pyridinyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole?
2-(2-methoxy-4-pyridinyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole has a molecular weight of 215.26 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-4-pyridinyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole is sourced from PubChem (CID 177050036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).