N-[6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-methylsulfanylpropanamide

C20H27N3OS — CID 23723863

IUPACN-[6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-methylsulfanylpropanamide
SMILESCSCCC(=O)NC1CC(C)(C)Cc2c1cnn2-c1ccccc1C
InChIInChI=1S/C20H27N3OS/c1-14-7-5-6-8-17(14)23-18-12-20(2,3)11-16(15(18)13-21-23)22-19(24)9-10-25-4/h5-8,13,16H,9-12H2,1-4H3,(H,22,24)
InChIKeyFSLPBTYBLJFOEN-UHFFFAOYSA-N
MW357.52 g/mol
LogP4.06
Rot. Bonds5

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

N-[6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-methylsulfanylpropanamide (PubChem CID 23723863) has the molecular formula C20H27N3OS and a molecular weight of 357.52 g/mol. Its IUPAC name is N-[6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-methylsulfanylpropanamide.

Molecular Properties

Compound NameN-[6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-methylsulfanylpropanamide
PubChem CID23723863
Molecular FormulaC20H27N3OS
Molecular Weight357.52 g/mol
Exact Mass357.19
IUPAC NameN-[6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-methylsulfanylpropanamide
SMILESCSCCC(=O)NC1CC(C)(C)Cc2c1cnn2-c1ccccc1C
InChIInChI=1S/C20H27N3OS/c1-14-7-5-6-8-17(14)23-18-12-20(2,3)11-16(15(18)13-21-23)22-19(24)9-10-25-4/h5-8,13,16H,9-12H2,1-4H3,(H,22,24)
InChIKeyFSLPBTYBLJFOEN-UHFFFAOYSA-N
XLogP4.06
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.52
LogP ≤ 54.06
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-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-methylsulfanylpropanamide?
The IUPAC name of N-[6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-methylsulfanylpropanamide (CID 23723863) is N-[6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-methylsulfanylpropanamide.
What is the SMILES notation for N-[6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-methylsulfanylpropanamide?
The canonical SMILES for N-[6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-methylsulfanylpropanamide is CSCCC(=O)NC1CC(C)(C)Cc2c1cnn2-c1ccccc1C.
What is the InChIKey of N-[6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-methylsulfanylpropanamide?
The InChIKey is FSLPBTYBLJFOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3OS/c1-14-7-5-6-8-17(14)23-18-12-20(2,3)11-16(15(18)13-21-23)22-19(24)9-10-25-4/h5-8,13,16H,9-12H2,1-4H3,(H,22,24).
What are the key properties of N-[6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-methylsulfanylpropanamide?
N-[6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-methylsulfanylpropanamide has a molecular weight of 357.52 g/mol, XLogP of 4.06, 5 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-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-methylsulfanylpropanamide is sourced from PubChem (CID 23723863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).