N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-1-(3-methylphenyl)methanesulfonamide

C16H21N3O3S — CID 71808514

IUPACN-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-1-(3-methylphenyl)methanesulfonamide
SMILESCc1cccc(CS(=O)(=O)NCc2nn(C)c3c2COCC3)c1
InChIInChI=1S/C16H21N3O3S/c1-12-4-3-5-13(8-12)11-23(20,21)17-9-15-14-10-22-7-6-16(14)19(2)18-15/h3-5,8,17H,6-7,9-11H2,1-2H3
InChIKeyGLPJVXVGJWTQNC-UHFFFAOYSA-N
MW335.43 g/mol
LogP1.42
Rot. Bonds5

About N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-1-(3-methylphenyl)methanesulfonamide

N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-1-(3-methylphenyl)methanesulfonamide (PubChem CID 71808514) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-1-(3-methylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-1-(3-methylphenyl)methanesulfonamide
PubChem CID71808514
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC NameN-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-1-(3-methylphenyl)methanesulfonamide
SMILESCc1cccc(CS(=O)(=O)NCc2nn(C)c3c2COCC3)c1
InChIInChI=1S/C16H21N3O3S/c1-12-4-3-5-13(8-12)11-23(20,21)17-9-15-14-10-22-7-6-16(14)19(2)18-15/h3-5,8,17H,6-7,9-11H2,1-2H3
InChIKeyGLPJVXVGJWTQNC-UHFFFAOYSA-N
XLogP1.42
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-1-(3-methylphenyl)methanesulfonamide?
The IUPAC name of N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-1-(3-methylphenyl)methanesulfonamide (CID 71808514) is N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-1-(3-methylphenyl)methanesulfonamide.
What is the SMILES notation for N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-1-(3-methylphenyl)methanesulfonamide?
The canonical SMILES for N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-1-(3-methylphenyl)methanesulfonamide is Cc1cccc(CS(=O)(=O)NCc2nn(C)c3c2COCC3)c1.
What is the InChIKey of N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-1-(3-methylphenyl)methanesulfonamide?
The InChIKey is GLPJVXVGJWTQNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S/c1-12-4-3-5-13(8-12)11-23(20,21)17-9-15-14-10-22-7-6-16(14)19(2)18-15/h3-5,8,17H,6-7,9-11H2,1-2H3.
What are the key properties of N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-1-(3-methylphenyl)methanesulfonamide?
N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-1-(3-methylphenyl)methanesulfonamide has a molecular weight of 335.43 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-1-(3-methylphenyl)methanesulfonamide is sourced from PubChem (CID 71808514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).