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

C16H18FN3O2 — CID 142112752

IUPAC3-(4-fluorophenyl)-2,5-dimethyl-1,3-dihydroindazole;N-hydroxyformamide
SMILESCc1ccc2c(c1)C(c1ccc(F)cc1)N(C)N2.O=CNO
InChIInChI=1S/C15H15FN2.CH3NO2/c1-10-3-8-14-13(9-10)15(18(2)17-14)11-4-6-12(16)7-5-11;3-1-2-4/h3-9,15,17H,1-2H3;1,4H,(H,2,3)
InChIKeyBNWVFXPTTGYORJ-UHFFFAOYSA-N
MW303.34 g/mol
LogP2.62
Rot. Bonds2

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

3-(4-fluorophenyl)-2,5-dimethyl-1,3-dihydroindazole;N-hydroxyformamide (PubChem CID 142112752) has the molecular formula C16H18FN3O2 and a molecular weight of 303.34 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2,5-dimethyl-1,3-dihydroindazole;N-hydroxyformamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2,5-dimethyl-1,3-dihydroindazole;N-hydroxyformamide
PubChem CID142112752
Molecular FormulaC16H18FN3O2
Molecular Weight303.34 g/mol
Exact Mass303.14
IUPAC Name3-(4-fluorophenyl)-2,5-dimethyl-1,3-dihydroindazole;N-hydroxyformamide
SMILESCc1ccc2c(c1)C(c1ccc(F)cc1)N(C)N2.O=CNO
InChIInChI=1S/C15H15FN2.CH3NO2/c1-10-3-8-14-13(9-10)15(18(2)17-14)11-4-6-12(16)7-5-11;3-1-2-4/h3-9,15,17H,1-2H3;1,4H,(H,2,3)
InChIKeyBNWVFXPTTGYORJ-UHFFFAOYSA-N
XLogP2.62
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(4-fluorophenyl)-2,5-dimethyl-1,3-dihydroindazole
CID 142112753
(5R)-4-acetyl-5-(4-fluorophenyl)-7-methyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 756173
(5S)-4-(3,4-dimethylbenzoyl)-5-(4-fluorophenyl)-7-methyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 2057674
4-(3-fluorobenzoyl)-5-(4-fluorophenyl)-7-methyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 5080775
(5R)-4-(4-bromobenzoyl)-5-(4-fluorophenyl)-7-methyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 2050202
(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
(4S)-4-(4-fluorophenyl)-3-(2-hydroxy-5-methylphenyl)-5-methyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 136784051
(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
(1S,3R)-3-(4-fluorophenyl)-5-methyl-2,3-dihydro-1H-inden-1-ol
CID 129390819

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-2,5-dimethyl-1,3-dihydroindazole;N-hydroxyformamide?
The IUPAC name of 3-(4-fluorophenyl)-2,5-dimethyl-1,3-dihydroindazole;N-hydroxyformamide (CID 142112752) is 3-(4-fluorophenyl)-2,5-dimethyl-1,3-dihydroindazole;N-hydroxyformamide.
What is the SMILES notation for 3-(4-fluorophenyl)-2,5-dimethyl-1,3-dihydroindazole;N-hydroxyformamide?
The canonical SMILES for 3-(4-fluorophenyl)-2,5-dimethyl-1,3-dihydroindazole;N-hydroxyformamide is Cc1ccc2c(c1)C(c1ccc(F)cc1)N(C)N2.O=CNO.
What is the InChIKey of 3-(4-fluorophenyl)-2,5-dimethyl-1,3-dihydroindazole;N-hydroxyformamide?
The InChIKey is BNWVFXPTTGYORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2.CH3NO2/c1-10-3-8-14-13(9-10)15(18(2)17-14)11-4-6-12(16)7-5-11;3-1-2-4/h3-9,15,17H,1-2H3;1,4H,(H,2,3).
What are the key properties of 3-(4-fluorophenyl)-2,5-dimethyl-1,3-dihydroindazole;N-hydroxyformamide?
3-(4-fluorophenyl)-2,5-dimethyl-1,3-dihydroindazole;N-hydroxyformamide has a molecular weight of 303.34 g/mol, XLogP of 2.62, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2,5-dimethyl-1,3-dihydroindazole;N-hydroxyformamide is sourced from PubChem (CID 142112752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).