2-cycloheptyl-4-methyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one

C13H21N3O — CID 115040963

IUPAC2-cycloheptyl-4-methyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one
SMILESCC1NCc2[nH]n(C3CCCCCC3)c(=O)c21
InChIInChI=1S/C13H21N3O/c1-9-12-11(8-14-9)15-16(13(12)17)10-6-4-2-3-5-7-10/h9-10,14-15H,2-8H2,1H3
InChIKeySPVVLHNCYCJNAP-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.24
Rot. Bonds1

About 2-cycloheptyl-4-methyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one

2-cycloheptyl-4-methyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one (PubChem CID 115040963) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-cycloheptyl-4-methyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one.

Molecular Properties

Compound Name2-cycloheptyl-4-methyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one
PubChem CID115040963
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-cycloheptyl-4-methyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one
SMILESCC1NCc2[nH]n(C3CCCCCC3)c(=O)c21
InChIInChI=1S/C13H21N3O/c1-9-12-11(8-14-9)15-16(13(12)17)10-6-4-2-3-5-7-10/h9-10,14-15H,2-8H2,1H3
InChIKeySPVVLHNCYCJNAP-UHFFFAOYSA-N
XLogP2.24
TPSA49.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-2-(1-methylpiperidin-3-yl)-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one
CID 115041640
2-ethyl-4-methyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one
CID 115013277
2-cycloheptyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-one
CID 105496819
2-cycloheptyl-4,5-dimethyl-1H-pyrazol-3-one
CID 66022942
2-cycloheptyl-4,6-dihydro-1H-furo[3,4-c]pyrazol-3-one
CID 105479375
2-cycloheptyl-4,6-dihydro-1H-thieno[3,4-c]pyrazol-3-one
CID 83196568
4-amino-2-cyclohexyl-5-propan-2-yl-1H-pyrazol-3-one
CID 103995106
4-amino-2-cyclohexyl-5-methyl-1H-pyrazol-3-one
CID 112693118
2-cycloheptyl-5-methyl-4-propan-2-yl-1H-pyrazol-3-one
CID 66022732
2-cyclohexyl-5-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-3-one
CID 102548933
3-cycloheptyl-2-methylimidazolidin-4-one
CID 83244225
3-cyclohexyl-5-methylimidazolidin-4-one
CID 83242864

Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-4-methyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one?
The IUPAC name of 2-cycloheptyl-4-methyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one (CID 115040963) is 2-cycloheptyl-4-methyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one.
What is the SMILES notation for 2-cycloheptyl-4-methyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one?
The canonical SMILES for 2-cycloheptyl-4-methyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one is CC1NCc2[nH]n(C3CCCCCC3)c(=O)c21.
What is the InChIKey of 2-cycloheptyl-4-methyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one?
The InChIKey is SPVVLHNCYCJNAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-9-12-11(8-14-9)15-16(13(12)17)10-6-4-2-3-5-7-10/h9-10,14-15H,2-8H2,1H3.
What are the key properties of 2-cycloheptyl-4-methyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one?
2-cycloheptyl-4-methyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one has a molecular weight of 235.33 g/mol, XLogP of 2.24, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-4-methyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one is sourced from PubChem (CID 115040963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).