N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]acetamide

C17H20FN3O — CID 45248756

IUPACN-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]acetamide
SMILESCC(=O)NC1CC(C)(C)Cc2c1cnn2-c1cccc(F)c1
InChIInChI=1S/C17H20FN3O/c1-11(22)20-15-8-17(2,3)9-16-14(15)10-19-21(16)13-6-4-5-12(18)7-13/h4-7,10,15H,8-9H2,1-3H3,(H,20,22)
InChIKeyOPWWDBUMFJJCEA-UHFFFAOYSA-N
MW301.37 g/mol
LogP3.16
Rot. Bonds2

About N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]acetamide

N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]acetamide (PubChem CID 45248756) has the molecular formula C17H20FN3O and a molecular weight of 301.37 g/mol. Its IUPAC name is N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]acetamide
PubChem CID45248756
Molecular FormulaC17H20FN3O
Molecular Weight301.37 g/mol
Exact Mass301.16
IUPAC NameN-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]acetamide
SMILESCC(=O)NC1CC(C)(C)Cc2c1cnn2-c1cccc(F)c1
InChIInChI=1S/C17H20FN3O/c1-11(22)20-15-8-17(2,3)9-16-14(15)10-19-21(16)13-6-4-5-12(18)7-13/h4-7,10,15H,8-9H2,1-3H3,(H,20,22)
InChIKeyOPWWDBUMFJJCEA-UHFFFAOYSA-N
XLogP3.16
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]acetamide?
The IUPAC name of N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]acetamide (CID 45248756) is N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]acetamide.
What is the SMILES notation for N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]acetamide?
The canonical SMILES for N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]acetamide is CC(=O)NC1CC(C)(C)Cc2c1cnn2-c1cccc(F)c1.
What is the InChIKey of N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]acetamide?
The InChIKey is OPWWDBUMFJJCEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O/c1-11(22)20-15-8-17(2,3)9-16-14(15)10-19-21(16)13-6-4-5-12(18)7-13/h4-7,10,15H,8-9H2,1-3H3,(H,20,22).
What are the key properties of N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]acetamide?
N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]acetamide has a molecular weight of 301.37 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]acetamide is sourced from PubChem (CID 45248756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).