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

C23H27N3O3 — CID 24816901

IUPACN-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3,5-dimethylfuran-2-carboxamide
SMILESCOc1ccc(-n2ncc3c2CC(C)(C)CC3NC(=O)c2oc(C)cc2C)cc1
InChIInChI=1S/C23H27N3O3/c1-14-10-15(2)29-21(14)22(27)25-19-11-23(3,4)12-20-18(19)13-24-26(20)16-6-8-17(28-5)9-7-16/h6-10,13,19H,11-12H2,1-5H3,(H,25,27)
InChIKeyKGFILULTHGGJBV-UHFFFAOYSA-N
MW393.49 g/mol
LogP4.53
Rot. Bonds4

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

N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3,5-dimethylfuran-2-carboxamide (PubChem CID 24816901) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3,5-dimethylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3,5-dimethylfuran-2-carboxamide
PubChem CID24816901
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC NameN-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3,5-dimethylfuran-2-carboxamide
SMILESCOc1ccc(-n2ncc3c2CC(C)(C)CC3NC(=O)c2oc(C)cc2C)cc1
InChIInChI=1S/C23H27N3O3/c1-14-10-15(2)29-21(14)22(27)25-19-11-23(3,4)12-20-18(19)13-24-26(20)16-6-8-17(28-5)9-7-16/h6-10,13,19H,11-12H2,1-5H3,(H,25,27)
InChIKeyKGFILULTHGGJBV-UHFFFAOYSA-N
XLogP4.53
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3,5-dimethylfuran-2-carboxamide with MolForge

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Related Compounds

Furan-2-carboxamide deriv., 7
CID 44236894
5-[(3,5-Dimethyl-1H-pyrazol-1-YL)methyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide
CID 20876955
5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N-(3-ethylphenyl)-2-furamide
CID 1224519
N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]-3,5-dimethyl-2-furamide
CID 24791124
5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-ethoxyphenyl)furan-2-carboxamide
CID 831746
N-{1-[5-methyl-1-(2-methylphenyl)-1H-pyrazol-4-yl]ethyl}-2-furamide
CID 16191279
5-[(3,5-Dimethyl-1H-pyrazol-1-YL)methyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
CID 20876954
N-[1-(4-methoxyphenyl)-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indazol-4-yl]-2-methyl-3-furamide
CID 24790593
N-[1-(4-methoxyphenyl)-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indazol-4-yl]-1-methyl-1H-pyrazole-5-carboxamide
CID 24791125
N-[1-(4-methoxyphenyl)-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indazol-4-yl]-2,2-dimethyl-4-oxo-3,4-dihydro-2H-pyran-6-carboxamide
CID 24791156
N-[6,6-dimethyl-1-(2-methylphenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]-5-methoxy-2-furamide
CID 24793103
N-[6,6-dimethyl-1-(2-methylphenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]-2,5-dimethyl-3-furamide
CID 24817092

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3,5-dimethylfuran-2-carboxamide?
The IUPAC name of N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3,5-dimethylfuran-2-carboxamide (CID 24816901) is N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3,5-dimethylfuran-2-carboxamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3,5-dimethylfuran-2-carboxamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3,5-dimethylfuran-2-carboxamide is COc1ccc(-n2ncc3c2CC(C)(C)CC3NC(=O)c2oc(C)cc2C)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3,5-dimethylfuran-2-carboxamide?
The InChIKey is KGFILULTHGGJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-14-10-15(2)29-21(14)22(27)25-19-11-23(3,4)12-20-18(19)13-24-26(20)16-6-8-17(28-5)9-7-16/h6-10,13,19H,11-12H2,1-5H3,(H,25,27).
What are the key properties of N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3,5-dimethylfuran-2-carboxamide?
N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3,5-dimethylfuran-2-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3,5-dimethylfuran-2-carboxamide is sourced from PubChem (CID 24816901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).