N-[(2-pyrazol-1-ylphenyl)methyl]methanesulfonamide

C11H13N3O2S — CID 47454487

IUPACN-[(2-pyrazol-1-ylphenyl)methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1ccccc1-n1cccn1
InChIInChI=1S/C11H13N3O2S/c1-17(15,16)13-9-10-5-2-3-6-11(10)14-8-4-7-12-14/h2-8,13H,9H2,1H3
InChIKeyVELNAVLPTIJUGE-UHFFFAOYSA-N
MW251.31 g/mol
LogP0.92
Rot. Bonds4

About N-[(2-pyrazol-1-ylphenyl)methyl]methanesulfonamide

N-[(2-pyrazol-1-ylphenyl)methyl]methanesulfonamide (PubChem CID 47454487) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is N-[(2-pyrazol-1-ylphenyl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(2-pyrazol-1-ylphenyl)methyl]methanesulfonamide
PubChem CID47454487
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC NameN-[(2-pyrazol-1-ylphenyl)methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1ccccc1-n1cccn1
InChIInChI=1S/C11H13N3O2S/c1-17(15,16)13-9-10-5-2-3-6-11(10)14-8-4-7-12-14/h2-8,13H,9H2,1H3
InChIKeyVELNAVLPTIJUGE-UHFFFAOYSA-N
XLogP0.92
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methylsulfonyl-N-[(2-pyrazol-1-ylphenyl)methyl]aniline
CID 133270594
2-bromo-N-[(2-pyrazol-1-ylphenyl)methyl]butanamide
CID 62854534
methyl 2-[(2-pyrazol-1-ylphenyl)methylamino]acetate
CID 61167303
1-(oxan-2-yl)-N-[(2-pyrazol-1-ylphenyl)methyl]methanesulfonamide
CID 102555706
2-fluoro-N-[(2-pyrazol-1-ylphenyl)methyl]ethanamine
CID 80693727
N-[(2-pyrazol-1-ylphenyl)methyl]pyridin-4-amine
CID 61167306
N-[(2-fluorophenyl)methyl]-1-(2-pyrazol-1-ylphenyl)methanamine
CID 61167301
N-[(2-pyrazol-1-ylphenyl)methyl]but-3-yn-2-amine
CID 113482433
N-[(2-pyrazol-1-ylphenyl)methyl]heptan-4-amine
CID 61167489
N-methyl-3-[(2-pyrazol-1-ylphenyl)methylamino]propanamide
CID 62324592
1-[2-(pyrazol-1-ylmethyl)phenyl]pyrazole
CID 101492467
2-(azetidin-3-yl)-N-[(2-pyrazol-1-ylphenyl)methyl]propanamide
CID 116677047

Frequently Asked Questions

What is the IUPAC name of N-[(2-pyrazol-1-ylphenyl)methyl]methanesulfonamide?
The IUPAC name of N-[(2-pyrazol-1-ylphenyl)methyl]methanesulfonamide (CID 47454487) is N-[(2-pyrazol-1-ylphenyl)methyl]methanesulfonamide.
What is the SMILES notation for N-[(2-pyrazol-1-ylphenyl)methyl]methanesulfonamide?
The canonical SMILES for N-[(2-pyrazol-1-ylphenyl)methyl]methanesulfonamide is CS(=O)(=O)NCc1ccccc1-n1cccn1.
What is the InChIKey of N-[(2-pyrazol-1-ylphenyl)methyl]methanesulfonamide?
The InChIKey is VELNAVLPTIJUGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c1-17(15,16)13-9-10-5-2-3-6-11(10)14-8-4-7-12-14/h2-8,13H,9H2,1H3.
What are the key properties of N-[(2-pyrazol-1-ylphenyl)methyl]methanesulfonamide?
N-[(2-pyrazol-1-ylphenyl)methyl]methanesulfonamide has a molecular weight of 251.31 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-pyrazol-1-ylphenyl)methyl]methanesulfonamide is sourced from PubChem (CID 47454487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).