3-(3,4-difluorophenyl)-6,6-dimethyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-one

C14H16F2N2O — CID 134600446

IUPAC3-(3,4-difluorophenyl)-6,6-dimethyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-one
SMILESCC1(C)CN2CCC(c3ccc(F)c(F)c3)N2C1=O
InChIInChI=1S/C14H16F2N2O/c1-14(2)8-17-6-5-12(18(17)13(14)19)9-3-4-10(15)11(16)7-9/h3-4,7,12H,5-6,8H2,1-2H3
InChIKeyQWLPZUIGEIHJJT-UHFFFAOYSA-N
MW266.29 g/mol
LogP2.49
Rot. Bonds1

About 3-(3,4-difluorophenyl)-6,6-dimethyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-one

3-(3,4-difluorophenyl)-6,6-dimethyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-one (PubChem CID 134600446) has the molecular formula C14H16F2N2O and a molecular weight of 266.29 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)-6,6-dimethyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-one.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)-6,6-dimethyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-one
PubChem CID134600446
Molecular FormulaC14H16F2N2O
Molecular Weight266.29 g/mol
Exact Mass266.12
IUPAC Name3-(3,4-difluorophenyl)-6,6-dimethyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-one
SMILESCC1(C)CN2CCC(c3ccc(F)c(F)c3)N2C1=O
InChIInChI=1S/C14H16F2N2O/c1-14(2)8-17-6-5-12(18(17)13(14)19)9-3-4-10(15)11(16)7-9/h3-4,7,12H,5-6,8H2,1-2H3
InChIKeyQWLPZUIGEIHJJT-UHFFFAOYSA-N
XLogP2.49
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)-6,6-dimethyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-one?
The IUPAC name of 3-(3,4-difluorophenyl)-6,6-dimethyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-one (CID 134600446) is 3-(3,4-difluorophenyl)-6,6-dimethyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-one.
What is the SMILES notation for 3-(3,4-difluorophenyl)-6,6-dimethyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-one?
The canonical SMILES for 3-(3,4-difluorophenyl)-6,6-dimethyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-one is CC1(C)CN2CCC(c3ccc(F)c(F)c3)N2C1=O.
What is the InChIKey of 3-(3,4-difluorophenyl)-6,6-dimethyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-one?
The InChIKey is QWLPZUIGEIHJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2O/c1-14(2)8-17-6-5-12(18(17)13(14)19)9-3-4-10(15)11(16)7-9/h3-4,7,12H,5-6,8H2,1-2H3.
What are the key properties of 3-(3,4-difluorophenyl)-6,6-dimethyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-one?
3-(3,4-difluorophenyl)-6,6-dimethyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-one has a molecular weight of 266.29 g/mol, XLogP of 2.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenyl)-6,6-dimethyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-one is sourced from PubChem (CID 134600446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).