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

C12H18N2OS — CID 83196568

IUPAC2-cycloheptyl-4,6-dihydro-1H-thieno[3,4-c]pyrazol-3-one
SMILESO=c1c2c([nH]n1C1CCCCCC1)CSC2
InChIInChI=1S/C12H18N2OS/c15-12-10-7-16-8-11(10)13-14(12)9-5-3-1-2-4-6-9/h9,13H,1-8H2
InChIKeyLDCOANIEZDMGGA-UHFFFAOYSA-N
MW238.36 g/mol
LogP2.82
Rot. Bonds1

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

2-cycloheptyl-4,6-dihydro-1H-thieno[3,4-c]pyrazol-3-one (PubChem CID 83196568) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 2-cycloheptyl-4,6-dihydro-1H-thieno[3,4-c]pyrazol-3-one.

Molecular Properties

Compound Name2-cycloheptyl-4,6-dihydro-1H-thieno[3,4-c]pyrazol-3-one
PubChem CID83196568
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name2-cycloheptyl-4,6-dihydro-1H-thieno[3,4-c]pyrazol-3-one
SMILESO=c1c2c([nH]n1C1CCCCCC1)CSC2
InChIInChI=1S/C12H18N2OS/c15-12-10-7-16-8-11(10)13-14(12)9-5-3-1-2-4-6-9/h9,13H,1-8H2
InChIKeyLDCOANIEZDMGGA-UHFFFAOYSA-N
XLogP2.82
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-4,6-dihydro-1H-thieno[3,4-c]pyrazol-3-one?
The IUPAC name of 2-cycloheptyl-4,6-dihydro-1H-thieno[3,4-c]pyrazol-3-one (CID 83196568) is 2-cycloheptyl-4,6-dihydro-1H-thieno[3,4-c]pyrazol-3-one.
What is the SMILES notation for 2-cycloheptyl-4,6-dihydro-1H-thieno[3,4-c]pyrazol-3-one?
The canonical SMILES for 2-cycloheptyl-4,6-dihydro-1H-thieno[3,4-c]pyrazol-3-one is O=c1c2c([nH]n1C1CCCCCC1)CSC2.
What is the InChIKey of 2-cycloheptyl-4,6-dihydro-1H-thieno[3,4-c]pyrazol-3-one?
The InChIKey is LDCOANIEZDMGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/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-thieno[3,4-c]pyrazol-3-one?
2-cycloheptyl-4,6-dihydro-1H-thieno[3,4-c]pyrazol-3-one has a molecular weight of 238.36 g/mol, XLogP of 2.82, 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-thieno[3,4-c]pyrazol-3-one is sourced from PubChem (CID 83196568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).