2-cycloheptyl-4,6-dihydro-1H-furo[3,4-c]pyrazol-3-one

C12H18N2O2 — CID 105479375

IUPAC2-cycloheptyl-4,6-dihydro-1H-furo[3,4-c]pyrazol-3-one
SMILESO=c1c2c([nH]n1C1CCCCCC1)COC2
InChIInChI=1S/C12H18N2O2/c15-12-10-7-16-8-11(10)13-14(12)9-5-3-1-2-4-6-9/h9,13H,1-8H2
InChIKeyYXTSRAYLPRROPH-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.10
Rot. Bonds1

About 2-cycloheptyl-4,6-dihydro-1H-furo[3,4-c]pyrazol-3-one

2-cycloheptyl-4,6-dihydro-1H-furo[3,4-c]pyrazol-3-one (PubChem CID 105479375) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-cycloheptyl-4,6-dihydro-1H-furo[3,4-c]pyrazol-3-one.

Molecular Properties

Compound Name2-cycloheptyl-4,6-dihydro-1H-furo[3,4-c]pyrazol-3-one
PubChem CID105479375
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-cycloheptyl-4,6-dihydro-1H-furo[3,4-c]pyrazol-3-one
SMILESO=c1c2c([nH]n1C1CCCCCC1)COC2
InChIInChI=1S/C12H18N2O2/c15-12-10-7-16-8-11(10)13-14(12)9-5-3-1-2-4-6-9/h9,13H,1-8H2
InChIKeyYXTSRAYLPRROPH-UHFFFAOYSA-N
XLogP2.10
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cycloheptyl-4,6-dihydro-1H-thieno[3,4-c]pyrazol-3-one
CID 83196568
2-cycloheptyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-one
CID 105496819
1-cyclohexyl-4,6-dihydro-2H-furo[3,4-c]pyrazol-3-one
CID 105461795
2-cycloheptyl-4-methyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one
CID 115040963
2-cycloheptyl-4,5-dimethyl-1H-pyrazol-3-one
CID 66022942
2-cyclobutyl-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one
CID 105460796
2-cyclohexyl-5-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-3-one
CID 102548933
2-(1-methylpiperidin-4-yl)-4,5,6,7-tetrahydro-1H-indazol-3-one
CID 105496823
2-piperidin-4-yl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one
CID 105461939
4-amino-2-cyclohexyl-5-methyl-1H-pyrazol-3-one
CID 112693118
(5S)-2-cyclopentyl-5-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-3-one
CID 99110049
2-cycloheptyl-5-methyl-4-propan-2-yl-1H-pyrazol-3-one
CID 66022732

Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-4,6-dihydro-1H-furo[3,4-c]pyrazol-3-one?
The IUPAC name of 2-cycloheptyl-4,6-dihydro-1H-furo[3,4-c]pyrazol-3-one (CID 105479375) is 2-cycloheptyl-4,6-dihydro-1H-furo[3,4-c]pyrazol-3-one.
What is the SMILES notation for 2-cycloheptyl-4,6-dihydro-1H-furo[3,4-c]pyrazol-3-one?
The canonical SMILES for 2-cycloheptyl-4,6-dihydro-1H-furo[3,4-c]pyrazol-3-one is O=c1c2c([nH]n1C1CCCCCC1)COC2.
What is the InChIKey of 2-cycloheptyl-4,6-dihydro-1H-furo[3,4-c]pyrazol-3-one?
The InChIKey is YXTSRAYLPRROPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c15-12-10-7-16-8-11(10)13-14(12)9-5-3-1-2-4-6-9/h9,13H,1-8H2.
What are the key properties of 2-cycloheptyl-4,6-dihydro-1H-furo[3,4-c]pyrazol-3-one?
2-cycloheptyl-4,6-dihydro-1H-furo[3,4-c]pyrazol-3-one has a molecular weight of 222.29 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-4,6-dihydro-1H-furo[3,4-c]pyrazol-3-one is sourced from PubChem (CID 105479375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).