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

C20H21N3O2 — CID 24816962

IUPACN-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)furan-3-carboxamide
SMILESCC1(C)Cc2c(cnn2-c2ccccc2)C(NC(=O)c2ccoc2)C1
InChIInChI=1S/C20H21N3O2/c1-20(2)10-17(22-19(24)14-8-9-25-13-14)16-12-21-23(18(16)11-20)15-6-4-3-5-7-15/h3-9,12-13,17H,10-11H2,1-2H3,(H,22,24)
InChIKeyLTHKNFTVTRNKJO-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.91
Rot. Bonds3

About N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)furan-3-carboxamide

N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)furan-3-carboxamide (PubChem CID 24816962) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)furan-3-carboxamide.

Molecular Properties

Compound NameN-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)furan-3-carboxamide
PubChem CID24816962
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)furan-3-carboxamide
SMILESCC1(C)Cc2c(cnn2-c2ccccc2)C(NC(=O)c2ccoc2)C1
InChIInChI=1S/C20H21N3O2/c1-20(2)10-17(22-19(24)14-8-9-25-13-14)16-12-21-23(18(16)11-20)15-6-4-3-5-7-15/h3-9,12-13,17H,10-11H2,1-2H3,(H,22,24)
InChIKeyLTHKNFTVTRNKJO-UHFFFAOYSA-N
XLogP3.91
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)furan-3-carboxamide?
The IUPAC name of N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)furan-3-carboxamide (CID 24816962) is N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)furan-3-carboxamide.
What is the SMILES notation for N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)furan-3-carboxamide?
The canonical SMILES for N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)furan-3-carboxamide is CC1(C)Cc2c(cnn2-c2ccccc2)C(NC(=O)c2ccoc2)C1.
What is the InChIKey of N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)furan-3-carboxamide?
The InChIKey is LTHKNFTVTRNKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-20(2)10-17(22-19(24)14-8-9-25-13-14)16-12-21-23(18(16)11-20)15-6-4-3-5-7-15/h3-9,12-13,17H,10-11H2,1-2H3,(H,22,24).
What are the key properties of N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)furan-3-carboxamide?
N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)furan-3-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)furan-3-carboxamide is sourced from PubChem (CID 24816962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).