3-cyclopropyl-1-(2,6-difluorophenyl)-6,7-dihydro-5H-indazol-4-one

C16H14F2N2O — CID 82590928

IUPAC3-cyclopropyl-1-(2,6-difluorophenyl)-6,7-dihydro-5H-indazol-4-one
SMILESO=C1CCCc2c1c(C1CC1)nn2-c1c(F)cccc1F
InChIInChI=1S/C16H14F2N2O/c17-10-3-1-4-11(18)16(10)20-12-5-2-6-13(21)14(12)15(19-20)9-7-8-9/h1,3-4,9H,2,5-8H2
InChIKeyKDEZTANWZZOVRW-UHFFFAOYSA-N
MW288.30 g/mol
LogP3.55
Rot. Bonds2

About 3-cyclopropyl-1-(2,6-difluorophenyl)-6,7-dihydro-5H-indazol-4-one

3-cyclopropyl-1-(2,6-difluorophenyl)-6,7-dihydro-5H-indazol-4-one (PubChem CID 82590928) has the molecular formula C16H14F2N2O and a molecular weight of 288.30 g/mol. Its IUPAC name is 3-cyclopropyl-1-(2,6-difluorophenyl)-6,7-dihydro-5H-indazol-4-one.

Molecular Properties

Compound Name3-cyclopropyl-1-(2,6-difluorophenyl)-6,7-dihydro-5H-indazol-4-one
PubChem CID82590928
Molecular FormulaC16H14F2N2O
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name3-cyclopropyl-1-(2,6-difluorophenyl)-6,7-dihydro-5H-indazol-4-one
SMILESO=C1CCCc2c1c(C1CC1)nn2-c1c(F)cccc1F
InChIInChI=1S/C16H14F2N2O/c17-10-3-1-4-11(18)16(10)20-12-5-2-6-13(21)14(12)15(19-20)9-7-8-9/h1,3-4,9H,2,5-8H2
InChIKeyKDEZTANWZZOVRW-UHFFFAOYSA-N
XLogP3.55
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(2,6-difluorophenyl)-6,7-dihydro-5H-indazol-4-one?
The IUPAC name of 3-cyclopropyl-1-(2,6-difluorophenyl)-6,7-dihydro-5H-indazol-4-one (CID 82590928) is 3-cyclopropyl-1-(2,6-difluorophenyl)-6,7-dihydro-5H-indazol-4-one.
What is the SMILES notation for 3-cyclopropyl-1-(2,6-difluorophenyl)-6,7-dihydro-5H-indazol-4-one?
The canonical SMILES for 3-cyclopropyl-1-(2,6-difluorophenyl)-6,7-dihydro-5H-indazol-4-one is O=C1CCCc2c1c(C1CC1)nn2-c1c(F)cccc1F.
What is the InChIKey of 3-cyclopropyl-1-(2,6-difluorophenyl)-6,7-dihydro-5H-indazol-4-one?
The InChIKey is KDEZTANWZZOVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2O/c17-10-3-1-4-11(18)16(10)20-12-5-2-6-13(21)14(12)15(19-20)9-7-8-9/h1,3-4,9H,2,5-8H2.
What are the key properties of 3-cyclopropyl-1-(2,6-difluorophenyl)-6,7-dihydro-5H-indazol-4-one?
3-cyclopropyl-1-(2,6-difluorophenyl)-6,7-dihydro-5H-indazol-4-one has a molecular weight of 288.30 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(2,6-difluorophenyl)-6,7-dihydro-5H-indazol-4-one is sourced from PubChem (CID 82590928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).