N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]furan-2-carboxamide

C20H20FN3O2 — CID 24794290

IUPACN-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]furan-2-carboxamide
SMILESCC1(C)Cc2c(cnn2-c2ccc(F)cc2)C(NC(=O)c2ccco2)C1
InChIInChI=1S/C20H20FN3O2/c1-20(2)10-16(23-19(25)18-4-3-9-26-18)15-12-22-24(17(15)11-20)14-7-5-13(21)6-8-14/h3-9,12,16H,10-11H2,1-2H3,(H,23,25)
InChIKeyISBHNBGDEJKYQG-UHFFFAOYSA-N
MW353.40 g/mol
LogP4.05
Rot. Bonds3

About N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]furan-2-carboxamide

N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]furan-2-carboxamide (PubChem CID 24794290) has the molecular formula C20H20FN3O2 and a molecular weight of 353.40 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]furan-2-carboxamide
PubChem CID24794290
Molecular FormulaC20H20FN3O2
Molecular Weight353.40 g/mol
Exact Mass353.15
IUPAC NameN-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]furan-2-carboxamide
SMILESCC1(C)Cc2c(cnn2-c2ccc(F)cc2)C(NC(=O)c2ccco2)C1
InChIInChI=1S/C20H20FN3O2/c1-20(2)10-16(23-19(25)18-4-3-9-26-18)15-12-22-24(17(15)11-20)14-7-5-13(21)6-8-14/h3-9,12,16H,10-11H2,1-2H3,(H,23,25)
InChIKeyISBHNBGDEJKYQG-UHFFFAOYSA-N
XLogP4.05
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]furan-2-carboxamide?
The IUPAC name of N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]furan-2-carboxamide (CID 24794290) is N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]furan-2-carboxamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]furan-2-carboxamide?
The canonical SMILES for N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]furan-2-carboxamide is CC1(C)Cc2c(cnn2-c2ccc(F)cc2)C(NC(=O)c2ccco2)C1.
What is the InChIKey of N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]furan-2-carboxamide?
The InChIKey is ISBHNBGDEJKYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2/c1-20(2)10-16(23-19(25)18-4-3-9-26-18)15-12-22-24(17(15)11-20)14-7-5-13(21)6-8-14/h3-9,12,16H,10-11H2,1-2H3,(H,23,25).
What are the key properties of N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]furan-2-carboxamide?
N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]furan-2-carboxamide has a molecular weight of 353.40 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]furan-2-carboxamide is sourced from PubChem (CID 24794290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).