N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]methanesulfonamide

C12H15N3O2S — CID 19582223

IUPACN-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]methanesulfonamide
SMILESCc1cccc(Cn2ccc(NS(C)(=O)=O)n2)c1
InChIInChI=1S/C12H15N3O2S/c1-10-4-3-5-11(8-10)9-15-7-6-12(13-15)14-18(2,16)17/h3-8H,9H2,1-2H3,(H,13,14)
InChIKeyLTVKZUHWYGFNQM-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.61
Rot. Bonds4

About N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]methanesulfonamide

N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]methanesulfonamide (PubChem CID 19582223) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]methanesulfonamide
PubChem CID19582223
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC NameN-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]methanesulfonamide
SMILESCc1cccc(Cn2ccc(NS(C)(=O)=O)n2)c1
InChIInChI=1S/C12H15N3O2S/c1-10-4-3-5-11(8-10)9-15-7-6-12(13-15)14-18(2,16)17/h3-8H,9H2,1-2H3,(H,13,14)
InChIKeyLTVKZUHWYGFNQM-UHFFFAOYSA-N
XLogP1.61
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]methanesulfonamide?
The IUPAC name of N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]methanesulfonamide (CID 19582223) is N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]methanesulfonamide?
The canonical SMILES for N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]methanesulfonamide is Cc1cccc(Cn2ccc(NS(C)(=O)=O)n2)c1.
What is the InChIKey of N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]methanesulfonamide?
The InChIKey is LTVKZUHWYGFNQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-10-4-3-5-11(8-10)9-15-7-6-12(13-15)14-18(2,16)17/h3-8H,9H2,1-2H3,(H,13,14).
What are the key properties of N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]methanesulfonamide?
N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]methanesulfonamide has a molecular weight of 265.34 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]methanesulfonamide is sourced from PubChem (CID 19582223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).