N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-3,5-dimethylfuran-2-carboxamide

C22H25N3O2 — CID 24817341

IUPACN-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-3,5-dimethylfuran-2-carboxamide
SMILESCc1cc(C)c(C(=O)NC2CC(C)(C)Cc3c2cnn3-c2ccccc2)o1
InChIInChI=1S/C22H25N3O2/c1-14-10-15(2)27-20(14)21(26)24-18-11-22(3,4)12-19-17(18)13-23-25(19)16-8-6-5-7-9-16/h5-10,13,18H,11-12H2,1-4H3,(H,24,26)
InChIKeyDISRGWJLALQWOA-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.53
Rot. Bonds3

About N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-3,5-dimethylfuran-2-carboxamide

N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-3,5-dimethylfuran-2-carboxamide (PubChem CID 24817341) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-3,5-dimethylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-3,5-dimethylfuran-2-carboxamide
PubChem CID24817341
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC NameN-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-3,5-dimethylfuran-2-carboxamide
SMILESCc1cc(C)c(C(=O)NC2CC(C)(C)Cc3c2cnn3-c2ccccc2)o1
InChIInChI=1S/C22H25N3O2/c1-14-10-15(2)27-20(14)21(26)24-18-11-22(3,4)12-19-17(18)13-23-25(19)16-8-6-5-7-9-16/h5-10,13,18H,11-12H2,1-4H3,(H,24,26)
InChIKeyDISRGWJLALQWOA-UHFFFAOYSA-N
XLogP4.53
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.53
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)-3,5-dimethylfuran-2-carboxamide?
The IUPAC name of N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-3,5-dimethylfuran-2-carboxamide (CID 24817341) is N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-3,5-dimethylfuran-2-carboxamide.
What is the SMILES notation for N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-3,5-dimethylfuran-2-carboxamide?
The canonical SMILES for N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-3,5-dimethylfuran-2-carboxamide is Cc1cc(C)c(C(=O)NC2CC(C)(C)Cc3c2cnn3-c2ccccc2)o1.
What is the InChIKey of N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-3,5-dimethylfuran-2-carboxamide?
The InChIKey is DISRGWJLALQWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-14-10-15(2)27-20(14)21(26)24-18-11-22(3,4)12-19-17(18)13-23-25(19)16-8-6-5-7-9-16/h5-10,13,18H,11-12H2,1-4H3,(H,24,26).
What are the key properties of N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-3,5-dimethylfuran-2-carboxamide?
N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-3,5-dimethylfuran-2-carboxamide has a molecular weight of 363.46 g/mol, XLogP of 4.53, 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)-3,5-dimethylfuran-2-carboxamide is sourced from PubChem (CID 24817341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).