1-(3-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]-N-propylmethanesulfonamide

C16H23N3O3S — CID 56792283

IUPAC1-(3-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]-N-propylmethanesulfonamide
SMILESCCCN(Cc1cnn(C)c1)S(=O)(=O)Cc1cccc(OC)c1
InChIInChI=1S/C16H23N3O3S/c1-4-8-19(12-15-10-17-18(2)11-15)23(20,21)13-14-6-5-7-16(9-14)22-3/h5-7,9-11H,4,8,12-13H2,1-3H3
InChIKeyTWVSVIFINOXOEB-UHFFFAOYSA-N
MW337.45 g/mol
LogP2.17
Rot. Bonds8

About 1-(3-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]-N-propylmethanesulfonamide

1-(3-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]-N-propylmethanesulfonamide (PubChem CID 56792283) has the molecular formula C16H23N3O3S and a molecular weight of 337.45 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]-N-propylmethanesulfonamide.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]-N-propylmethanesulfonamide
PubChem CID56792283
Molecular FormulaC16H23N3O3S
Molecular Weight337.45 g/mol
Exact Mass337.15
IUPAC Name1-(3-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]-N-propylmethanesulfonamide
SMILESCCCN(Cc1cnn(C)c1)S(=O)(=O)Cc1cccc(OC)c1
InChIInChI=1S/C16H23N3O3S/c1-4-8-19(12-15-10-17-18(2)11-15)23(20,21)13-14-6-5-7-16(9-14)22-3/h5-7,9-11H,4,8,12-13H2,1-3H3
InChIKeyTWVSVIFINOXOEB-UHFFFAOYSA-N
XLogP2.17
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]-N-propylmethanesulfonamide?
The IUPAC name of 1-(3-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]-N-propylmethanesulfonamide (CID 56792283) is 1-(3-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]-N-propylmethanesulfonamide.
What is the SMILES notation for 1-(3-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]-N-propylmethanesulfonamide?
The canonical SMILES for 1-(3-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]-N-propylmethanesulfonamide is CCCN(Cc1cnn(C)c1)S(=O)(=O)Cc1cccc(OC)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]-N-propylmethanesulfonamide?
The InChIKey is TWVSVIFINOXOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3S/c1-4-8-19(12-15-10-17-18(2)11-15)23(20,21)13-14-6-5-7-16(9-14)22-3/h5-7,9-11H,4,8,12-13H2,1-3H3.
What are the key properties of 1-(3-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]-N-propylmethanesulfonamide?
1-(3-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]-N-propylmethanesulfonamide has a molecular weight of 337.45 g/mol, XLogP of 2.17, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]-N-propylmethanesulfonamide is sourced from PubChem (CID 56792283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).