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

C20H20FN3O2 — CID 24817114

IUPACN-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]furan-3-carboxamide
SMILESCC1(C)Cc2c(cnn2-c2ccc(F)cc2)C(NC(=O)c2ccoc2)C1
InChIInChI=1S/C20H20FN3O2/c1-20(2)9-17(23-19(25)13-7-8-26-12-13)16-11-22-24(18(16)10-20)15-5-3-14(21)4-6-15/h3-8,11-12,17H,9-10H2,1-2H3,(H,23,25)
InChIKeyGQKKIUVPDBMHFO-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-3-carboxamide

N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]furan-3-carboxamide (PubChem CID 24817114) 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-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]furan-3-carboxamide
PubChem CID24817114
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-3-carboxamide
SMILESCC1(C)Cc2c(cnn2-c2ccc(F)cc2)C(NC(=O)c2ccoc2)C1
InChIInChI=1S/C20H20FN3O2/c1-20(2)9-17(23-19(25)13-7-8-26-12-13)16-11-22-24(18(16)10-20)15-5-3-14(21)4-6-15/h3-8,11-12,17H,9-10H2,1-2H3,(H,23,25)
InChIKeyGQKKIUVPDBMHFO-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-3-carboxamide?
The IUPAC name of N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]furan-3-carboxamide (CID 24817114) is N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]furan-3-carboxamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]furan-3-carboxamide?
The canonical SMILES for N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]furan-3-carboxamide is CC1(C)Cc2c(cnn2-c2ccc(F)cc2)C(NC(=O)c2ccoc2)C1.
What is the InChIKey of N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]furan-3-carboxamide?
The InChIKey is GQKKIUVPDBMHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2/c1-20(2)9-17(23-19(25)13-7-8-26-12-13)16-11-22-24(18(16)10-20)15-5-3-14(21)4-6-15/h3-8,11-12,17H,9-10H2,1-2H3,(H,23,25).
What are the key properties of N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]furan-3-carboxamide?
N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]furan-3-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-3-carboxamide is sourced from PubChem (CID 24817114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).