3-(4-fluorophenyl)-2,5-dimethyl-1,3-dihydroindazole

C15H15FN2 — CID 142112753

IUPAC3-(4-fluorophenyl)-2,5-dimethyl-1,3-dihydroindazole
SMILESCc1ccc2c(c1)C(c1ccc(F)cc1)N(C)N2
InChIInChI=1S/C15H15FN2/c1-10-3-8-14-13(9-10)15(18(2)17-14)11-4-6-12(16)7-5-11/h3-9,15,17H,1-2H3
InChIKeyYFTWBCFJPNHTER-UHFFFAOYSA-N
MW242.30 g/mol
LogP3.50
Rot. Bonds1

About 3-(4-fluorophenyl)-2,5-dimethyl-1,3-dihydroindazole

3-(4-fluorophenyl)-2,5-dimethyl-1,3-dihydroindazole (PubChem CID 142112753) has the molecular formula C15H15FN2 and a molecular weight of 242.30 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2,5-dimethyl-1,3-dihydroindazole.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2,5-dimethyl-1,3-dihydroindazole
PubChem CID142112753
Molecular FormulaC15H15FN2
Molecular Weight242.30 g/mol
Exact Mass242.12
IUPAC Name3-(4-fluorophenyl)-2,5-dimethyl-1,3-dihydroindazole
SMILESCc1ccc2c(c1)C(c1ccc(F)cc1)N(C)N2
InChIInChI=1S/C15H15FN2/c1-10-3-8-14-13(9-10)15(18(2)17-14)11-4-6-12(16)7-5-11/h3-9,15,17H,1-2H3
InChIKeyYFTWBCFJPNHTER-UHFFFAOYSA-N
XLogP3.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-fluorophenyl)-2,5-dimethyl-1,3-dihydroindazole;N-hydroxyformamide
CID 142112752
(5R)-4-acetyl-5-(4-fluorophenyl)-7-methyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 756173
4-(3-fluorobenzoyl)-5-(4-fluorophenyl)-7-methyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 5080775
(5S)-4-(3,4-dimethylbenzoyl)-5-(4-fluorophenyl)-7-methyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 2057674
(5R)-4-(4-bromobenzoyl)-5-(4-fluorophenyl)-7-methyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 2050202
1-(4-fluorophenyl)-6-methyl-2,3-dihydro-1H-isoindole
CID 84735923
(5R)-5-(4-fluorophenyl)-4-(4-methoxybenzoyl)-7-methyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 2159576
(5S)-4-(4-benzoylbenzoyl)-5-(4-fluorophenyl)-7-methyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 2159627
4-(3-bromobenzoyl)-5-(4-fluorophenyl)-7-methyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 5080772
(1S,3R)-3-(4-fluorophenyl)-5-methyl-2,3-dihydro-1H-inden-1-ol
CID 129390819
(5S)-5-(4-fluorophenyl)-7-methyl-4-(4-phenylbutanoyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 2159477
(5S)-4-(2-ethoxybenzoyl)-5-(4-fluorophenyl)-7-methyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 2159493

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-2,5-dimethyl-1,3-dihydroindazole?
The IUPAC name of 3-(4-fluorophenyl)-2,5-dimethyl-1,3-dihydroindazole (CID 142112753) is 3-(4-fluorophenyl)-2,5-dimethyl-1,3-dihydroindazole.
What is the SMILES notation for 3-(4-fluorophenyl)-2,5-dimethyl-1,3-dihydroindazole?
The canonical SMILES for 3-(4-fluorophenyl)-2,5-dimethyl-1,3-dihydroindazole is Cc1ccc2c(c1)C(c1ccc(F)cc1)N(C)N2.
What is the InChIKey of 3-(4-fluorophenyl)-2,5-dimethyl-1,3-dihydroindazole?
The InChIKey is YFTWBCFJPNHTER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2/c1-10-3-8-14-13(9-10)15(18(2)17-14)11-4-6-12(16)7-5-11/h3-9,15,17H,1-2H3.
What are the key properties of 3-(4-fluorophenyl)-2,5-dimethyl-1,3-dihydroindazole?
3-(4-fluorophenyl)-2,5-dimethyl-1,3-dihydroindazole has a molecular weight of 242.30 g/mol, XLogP of 3.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2,5-dimethyl-1,3-dihydroindazole is sourced from PubChem (CID 142112753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).