N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,5-dimethylfuran-3-carboxamide

C22H25N3O2 — CID 24791757

IUPACN-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C)cc(-n2ncc3c2CCCC3NC(=O)c2cc(C)oc2C)c1
InChIInChI=1S/C22H25N3O2/c1-13-8-14(2)10-17(9-13)25-21-7-5-6-20(19(21)12-23-25)24-22(26)18-11-15(3)27-16(18)4/h8-12,20H,5-7H2,1-4H3,(H,24,26)
InChIKeyVXYDMAWBHRLVPS-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.51
Rot. Bonds3

About N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,5-dimethylfuran-3-carboxamide

N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,5-dimethylfuran-3-carboxamide (PubChem CID 24791757) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,5-dimethylfuran-3-carboxamide
PubChem CID24791757
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC NameN-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C)cc(-n2ncc3c2CCCC3NC(=O)c2cc(C)oc2C)c1
InChIInChI=1S/C22H25N3O2/c1-13-8-14(2)10-17(9-13)25-21-7-5-6-20(19(21)12-23-25)24-22(26)18-11-15(3)27-16(18)4/h8-12,20H,5-7H2,1-4H3,(H,24,26)
InChIKeyVXYDMAWBHRLVPS-UHFFFAOYSA-N
XLogP4.51
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 ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[3-(pyrazol-1-ylmethyl)phenyl]furan-3-carboxamide
CID 1244259
N-[1-(4-methoxyphenyl)-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indazol-4-yl]-2-methyl-3-furamide
CID 24790593
N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]-3-furamide
CID 24793888
N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]-2,5-dimethyl-3-furamide
CID 24793912
N-(6,6-dimethyl-1-phenyl-4,5,6,7-tetrahydro-1H-indazol-4-yl)-3-furamide
CID 24816962
N-[6,6-dimethyl-1-(2-methylphenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]-2,5-dimethyl-3-furamide
CID 24817092
N-[1-(4-fluorophenyl)-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indazol-4-yl]-3-furamide
CID 24817114
N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]-3-methoxybenzamide
CID 24817340
N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]-2-methoxynicotinamide
CID 24819381
N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]-2,5-dimethoxybenzamide
CID 45224872
N'-[(E)-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylidene]-2,5-dimethylfuran-3-carbohydrazide
CID 6861731
N-(6,6-dimethyl-1-phenyl-4,5,6,7-tetrahydro-1H-indazol-4-yl)-3,5-dimethyl-2-furamide
CID 24817341

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,5-dimethylfuran-3-carboxamide (CID 24791757) is N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,5-dimethylfuran-3-carboxamide is Cc1cc(C)cc(-n2ncc3c2CCCC3NC(=O)c2cc(C)oc2C)c1.
What is the InChIKey of N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,5-dimethylfuran-3-carboxamide?
The InChIKey is VXYDMAWBHRLVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-13-8-14(2)10-17(9-13)25-21-7-5-6-20(19(21)12-23-25)24-22(26)18-11-15(3)27-16(18)4/h8-12,20H,5-7H2,1-4H3,(H,24,26).
What are the key properties of N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,5-dimethylfuran-3-carboxamide?
N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,5-dimethylfuran-3-carboxamide has a molecular weight of 363.46 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 24791757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).