2-methylsulfonyl-N-[(2-pyrazol-1-ylphenyl)methyl]aniline

C17H17N3O2S — CID 133270594

IUPAC2-methylsulfonyl-N-[(2-pyrazol-1-ylphenyl)methyl]aniline
SMILESCS(=O)(=O)c1ccccc1NCc1ccccc1-n1cccn1
InChIInChI=1S/C17H17N3O2S/c1-23(21,22)17-10-5-3-8-15(17)18-13-14-7-2-4-9-16(14)20-12-6-11-19-20/h2-12,18H,13H2,1H3
InChIKeyXLIWWURSZSTSHB-UHFFFAOYSA-N
MW327.41 g/mol
LogP2.89
Rot. Bonds5

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

2-methylsulfonyl-N-[(2-pyrazol-1-ylphenyl)methyl]aniline (PubChem CID 133270594) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is 2-methylsulfonyl-N-[(2-pyrazol-1-ylphenyl)methyl]aniline.

Molecular Properties

Compound Name2-methylsulfonyl-N-[(2-pyrazol-1-ylphenyl)methyl]aniline
PubChem CID133270594
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC Name2-methylsulfonyl-N-[(2-pyrazol-1-ylphenyl)methyl]aniline
SMILESCS(=O)(=O)c1ccccc1NCc1ccccc1-n1cccn1
InChIInChI=1S/C17H17N3O2S/c1-23(21,22)17-10-5-3-8-15(17)18-13-14-7-2-4-9-16(14)20-12-6-11-19-20/h2-12,18H,13H2,1H3
InChIKeyXLIWWURSZSTSHB-UHFFFAOYSA-N
XLogP2.89
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-pyrazol-1-ylphenyl)methyl]methanesulfonamide
CID 47454487
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-pyrazol-1-ylaniline
CID 43705914
2-methyl-6-[(2-pyrazol-1-ylanilino)methyl]phenol
CID 115904144
N-[(2-pyrazol-1-ylphenyl)methyl]pyridin-4-amine
CID 61167306
N-[(2,4-dimethylphenyl)methyl]-2-pyrazol-1-ylaniline
CID 43705670
N-[(2-methylpyrazol-3-yl)methyl]-2-methylsulfonylaniline
CID 43724692
N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]-3-methylsulfonyl-2-nitroaniline
CID 133414488
N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-pyrazol-1-ylaniline
CID 55114545
3-N,3-N-dimethyl-2-N-[(2-pyrazol-1-ylphenyl)methyl]pyrazine-2,3-diamine
CID 134714332
N-[(2,5-difluorophenyl)methyl]-2-pyrazol-1-ylaniline
CID 43705653
4-(difluoromethylsulfonyl)-2-nitro-N-[(2-pyrazol-1-ylphenyl)methyl]aniline
CID 133299297
2-bromo-N-[(2-pyrazol-1-ylphenyl)methyl]butanamide
CID 62854534

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-N-[(2-pyrazol-1-ylphenyl)methyl]aniline?
The IUPAC name of 2-methylsulfonyl-N-[(2-pyrazol-1-ylphenyl)methyl]aniline (CID 133270594) is 2-methylsulfonyl-N-[(2-pyrazol-1-ylphenyl)methyl]aniline.
What is the SMILES notation for 2-methylsulfonyl-N-[(2-pyrazol-1-ylphenyl)methyl]aniline?
The canonical SMILES for 2-methylsulfonyl-N-[(2-pyrazol-1-ylphenyl)methyl]aniline is CS(=O)(=O)c1ccccc1NCc1ccccc1-n1cccn1.
What is the InChIKey of 2-methylsulfonyl-N-[(2-pyrazol-1-ylphenyl)methyl]aniline?
The InChIKey is XLIWWURSZSTSHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-23(21,22)17-10-5-3-8-15(17)18-13-14-7-2-4-9-16(14)20-12-6-11-19-20/h2-12,18H,13H2,1H3.
What are the key properties of 2-methylsulfonyl-N-[(2-pyrazol-1-ylphenyl)methyl]aniline?
2-methylsulfonyl-N-[(2-pyrazol-1-ylphenyl)methyl]aniline has a molecular weight of 327.41 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-N-[(2-pyrazol-1-ylphenyl)methyl]aniline is sourced from PubChem (CID 133270594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).