N-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]oxane-4-carboxamide

C22H29N3O2 — CID 24792067

IUPACN-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]oxane-4-carboxamide
SMILESCc1ccc(-n2ncc3c2CC(C)(C)CC3NC(=O)C2CCOCC2)cc1
InChIInChI=1S/C22H29N3O2/c1-15-4-6-17(7-5-15)25-20-13-22(2,3)12-19(18(20)14-23-25)24-21(26)16-8-10-27-11-9-16/h4-7,14,16,19H,8-13H2,1-3H3,(H,24,26)
InChIKeyWMQUVPMEIJXVCW-UHFFFAOYSA-N
MW367.49 g/mol
LogP3.74
Rot. Bonds3

About N-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]oxane-4-carboxamide

N-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]oxane-4-carboxamide (PubChem CID 24792067) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is N-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]oxane-4-carboxamide
PubChem CID24792067
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC NameN-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]oxane-4-carboxamide
SMILESCc1ccc(-n2ncc3c2CC(C)(C)CC3NC(=O)C2CCOCC2)cc1
InChIInChI=1S/C22H29N3O2/c1-15-4-6-17(7-5-15)25-20-13-22(2,3)12-19(18(20)14-23-25)24-21(26)16-8-10-27-11-9-16/h4-7,14,16,19H,8-13H2,1-3H3,(H,24,26)
InChIKeyWMQUVPMEIJXVCW-UHFFFAOYSA-N
XLogP3.74
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.74
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-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]oxane-4-carboxamide?
The IUPAC name of N-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]oxane-4-carboxamide (CID 24792067) is N-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]oxane-4-carboxamide.
What is the SMILES notation for N-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]oxane-4-carboxamide?
The canonical SMILES for N-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]oxane-4-carboxamide is Cc1ccc(-n2ncc3c2CC(C)(C)CC3NC(=O)C2CCOCC2)cc1.
What is the InChIKey of N-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]oxane-4-carboxamide?
The InChIKey is WMQUVPMEIJXVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-15-4-6-17(7-5-15)25-20-13-22(2,3)12-19(18(20)14-23-25)24-21(26)16-8-10-27-11-9-16/h4-7,14,16,19H,8-13H2,1-3H3,(H,24,26).
What are the key properties of N-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]oxane-4-carboxamide?
N-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]oxane-4-carboxamide has a molecular weight of 367.49 g/mol, XLogP of 3.74, 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-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]oxane-4-carboxamide is sourced from PubChem (CID 24792067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).