N-(4-methyl-1-phenylpyrazol-5-yl)methanesulfonamide

C11H13N3O2S — CID 91649217

IUPACN-(4-methyl-1-phenylpyrazol-5-yl)methanesulfonamide
SMILESCc1cnn(-c2ccccc2)c1NS(C)(=O)=O
InChIInChI=1S/C11H13N3O2S/c1-9-8-12-14(10-6-4-3-5-7-10)11(9)13-17(2,15)16/h3-8,13H,1-2H3
InChIKeyRTNXHWALNIPBSU-UHFFFAOYSA-N
MW251.31 g/mol
LogP1.55
Rot. Bonds3

About N-(4-methyl-1-phenylpyrazol-5-yl)methanesulfonamide

N-(4-methyl-1-phenylpyrazol-5-yl)methanesulfonamide (PubChem CID 91649217) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is N-(4-methyl-1-phenylpyrazol-5-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(4-methyl-1-phenylpyrazol-5-yl)methanesulfonamide
PubChem CID91649217
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC NameN-(4-methyl-1-phenylpyrazol-5-yl)methanesulfonamide
SMILESCc1cnn(-c2ccccc2)c1NS(C)(=O)=O
InChIInChI=1S/C11H13N3O2S/c1-9-8-12-14(10-6-4-3-5-7-10)11(9)13-17(2,15)16/h3-8,13H,1-2H3
InChIKeyRTNXHWALNIPBSU-UHFFFAOYSA-N
XLogP1.55
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1-phenylpyrazol-5-yl)methanesulfonamide?
The IUPAC name of N-(4-methyl-1-phenylpyrazol-5-yl)methanesulfonamide (CID 91649217) is N-(4-methyl-1-phenylpyrazol-5-yl)methanesulfonamide.
What is the SMILES notation for N-(4-methyl-1-phenylpyrazol-5-yl)methanesulfonamide?
The canonical SMILES for N-(4-methyl-1-phenylpyrazol-5-yl)methanesulfonamide is Cc1cnn(-c2ccccc2)c1NS(C)(=O)=O.
What is the InChIKey of N-(4-methyl-1-phenylpyrazol-5-yl)methanesulfonamide?
The InChIKey is RTNXHWALNIPBSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c1-9-8-12-14(10-6-4-3-5-7-10)11(9)13-17(2,15)16/h3-8,13H,1-2H3.
What are the key properties of N-(4-methyl-1-phenylpyrazol-5-yl)methanesulfonamide?
N-(4-methyl-1-phenylpyrazol-5-yl)methanesulfonamide has a molecular weight of 251.31 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1-phenylpyrazol-5-yl)methanesulfonamide is sourced from PubChem (CID 91649217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).