1-(2-fluorophenyl)-6,6-dimethyl-3-propyl-5,7-dihydroindazol-4-one

C18H21FN2O — CID 713312

IUPAC1-(2-fluorophenyl)-6,6-dimethyl-3-propyl-5,7-dihydroindazol-4-one
SMILESCCCc1nn(-c2ccccc2F)c2c1C(=O)CC(C)(C)C2
InChIInChI=1S/C18H21FN2O/c1-4-7-13-17-15(10-18(2,3)11-16(17)22)21(20-13)14-9-6-5-8-12(14)19/h5-6,8-9H,4,7,10-11H2,1-3H3
InChIKeyUEJLXWHHFUUQHB-UHFFFAOYSA-N
MW300.38 g/mol
LogP4.12
Rot. Bonds3

About 1-(2-fluorophenyl)-6,6-dimethyl-3-propyl-5,7-dihydroindazol-4-one

1-(2-fluorophenyl)-6,6-dimethyl-3-propyl-5,7-dihydroindazol-4-one (PubChem CID 713312) has the molecular formula C18H21FN2O and a molecular weight of 300.38 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-6,6-dimethyl-3-propyl-5,7-dihydroindazol-4-one.

Molecular Properties

Compound Name1-(2-fluorophenyl)-6,6-dimethyl-3-propyl-5,7-dihydroindazol-4-one
PubChem CID713312
Molecular FormulaC18H21FN2O
Molecular Weight300.38 g/mol
Exact Mass300.16
IUPAC Name1-(2-fluorophenyl)-6,6-dimethyl-3-propyl-5,7-dihydroindazol-4-one
SMILESCCCc1nn(-c2ccccc2F)c2c1C(=O)CC(C)(C)C2
InChIInChI=1S/C18H21FN2O/c1-4-7-13-17-15(10-18(2,3)11-16(17)22)21(20-13)14-9-6-5-8-12(14)19/h5-6,8-9H,4,7,10-11H2,1-3H3
InChIKeyUEJLXWHHFUUQHB-UHFFFAOYSA-N
XLogP4.12
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-butyl-1-(2-fluorophenyl)-6,7-dihydro-5H-indazol-4-one
CID 4988994
1-(2-chlorophenyl)-3,6,6-trimethyl-5,7-dihydroindazol-4-one
CID 607612
ethyl 2-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)benzoate
CID 118711128
3,6,6-trimethyl-1-(2-propan-2-ylphenyl)-5,7-dihydroindazol-4-one
CID 624659
3-(2-fluoroanilino)-6,6-dimethyl-1-pyrimidin-2-yl-5,7-dihydroindazol-4-one
CID 30326660
5-chloro-1-(2-fluorophenyl)-3-propylpyrazole
CID 66020942
1-(2-fluorophenyl)-3-propylpyrazol-5-amine
CID 82079514
3-(2-fluorophenyl)-6,6-dimethyl-1-(4-propan-2-ylphenyl)-5,7-dihydroindazol-4-one
CID 70106002
4-(3-but-3-enyl-6,6-dimethyl-4-oxo-5,7-dihydroindazol-1-yl)-N-methyl-3-nitro-N-propylbenzamide
CID 139212958
1-(2,5-dichlorophenyl)-3,6,6-trimethyl-5,7-dihydroindazol-4-one
CID 5091282
1-(2,4-dichlorophenyl)-3,6,6-trimethyl-5,7-dihydroindazol-4-one
CID 715222
3-(2-ethylanilino)-1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydroindazol-4-one
CID 17035456

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-6,6-dimethyl-3-propyl-5,7-dihydroindazol-4-one?
The IUPAC name of 1-(2-fluorophenyl)-6,6-dimethyl-3-propyl-5,7-dihydroindazol-4-one (CID 713312) is 1-(2-fluorophenyl)-6,6-dimethyl-3-propyl-5,7-dihydroindazol-4-one.
What is the SMILES notation for 1-(2-fluorophenyl)-6,6-dimethyl-3-propyl-5,7-dihydroindazol-4-one?
The canonical SMILES for 1-(2-fluorophenyl)-6,6-dimethyl-3-propyl-5,7-dihydroindazol-4-one is CCCc1nn(-c2ccccc2F)c2c1C(=O)CC(C)(C)C2.
What is the InChIKey of 1-(2-fluorophenyl)-6,6-dimethyl-3-propyl-5,7-dihydroindazol-4-one?
The InChIKey is UEJLXWHHFUUQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O/c1-4-7-13-17-15(10-18(2,3)11-16(17)22)21(20-13)14-9-6-5-8-12(14)19/h5-6,8-9H,4,7,10-11H2,1-3H3.
What are the key properties of 1-(2-fluorophenyl)-6,6-dimethyl-3-propyl-5,7-dihydroindazol-4-one?
1-(2-fluorophenyl)-6,6-dimethyl-3-propyl-5,7-dihydroindazol-4-one has a molecular weight of 300.38 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-6,6-dimethyl-3-propyl-5,7-dihydroindazol-4-one is sourced from PubChem (CID 713312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).