N-(1-methylsulfonylpropan-2-yl)-4-pyrazol-1-ylaniline

C13H17N3O2S — CID 64629725

IUPACN-(1-methylsulfonylpropan-2-yl)-4-pyrazol-1-ylaniline
SMILESCC(CS(C)(=O)=O)Nc1ccc(-n2cccn2)cc1
InChIInChI=1S/C13H17N3O2S/c1-11(10-19(2,17)18)15-12-4-6-13(7-5-12)16-9-3-8-14-16/h3-9,11,15H,10H2,1-2H3
InChIKeyKTEYWQPGNHEQQC-UHFFFAOYSA-N
MW279.37 g/mol
LogP1.72
Rot. Bonds5

About N-(1-methylsulfonylpropan-2-yl)-4-pyrazol-1-ylaniline

N-(1-methylsulfonylpropan-2-yl)-4-pyrazol-1-ylaniline (PubChem CID 64629725) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is N-(1-methylsulfonylpropan-2-yl)-4-pyrazol-1-ylaniline.

Molecular Properties

Compound NameN-(1-methylsulfonylpropan-2-yl)-4-pyrazol-1-ylaniline
PubChem CID64629725
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC NameN-(1-methylsulfonylpropan-2-yl)-4-pyrazol-1-ylaniline
SMILESCC(CS(C)(=O)=O)Nc1ccc(-n2cccn2)cc1
InChIInChI=1S/C13H17N3O2S/c1-11(10-19(2,17)18)15-12-4-6-13(7-5-12)16-9-3-8-14-16/h3-9,11,15H,10H2,1-2H3
InChIKeyKTEYWQPGNHEQQC-UHFFFAOYSA-N
XLogP1.72
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-methylhexan-2-yl)-4-pyrazol-1-ylaniline
CID 43688218
N-(4-pyrazol-1-ylphenyl)propane-2-sulfonamide
CID 62999857
N-(1-methylsulfonylpropan-2-yl)-2-pyrazol-1-ylpyridin-3-amine
CID 64629336
N-(1-ethoxypropan-2-yl)-4-pyrazol-1-ylaniline
CID 75483453
N-[(2R)-1-ethoxypropan-2-yl]-4-pyrazol-1-ylaniline
CID 97337940
N-(1-methylsulfonylpropan-2-yl)-4-propan-2-ylaniline
CID 64631526
4-hydrazinyl-N-(1-methylsulfonylpropan-2-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80910646
2-methyl-3-(4-pyrazol-1-ylanilino)butan-2-ol
CID 65337972
N-(1-ethylsulfonylpropan-2-yl)-4-(pyrazol-1-ylmethyl)aniline
CID 104663721
4-ethylsulfonyl-N-(1-methylsulfonylpropan-2-yl)aniline
CID 64630538
methyl 4-(1-methylsulfonylpropan-2-ylamino)benzoate
CID 64628913
1-propan-2-yl-3-(4-pyrazol-1-ylphenyl)urea
CID 110748862

Frequently Asked Questions

What is the IUPAC name of N-(1-methylsulfonylpropan-2-yl)-4-pyrazol-1-ylaniline?
The IUPAC name of N-(1-methylsulfonylpropan-2-yl)-4-pyrazol-1-ylaniline (CID 64629725) is N-(1-methylsulfonylpropan-2-yl)-4-pyrazol-1-ylaniline.
What is the SMILES notation for N-(1-methylsulfonylpropan-2-yl)-4-pyrazol-1-ylaniline?
The canonical SMILES for N-(1-methylsulfonylpropan-2-yl)-4-pyrazol-1-ylaniline is CC(CS(C)(=O)=O)Nc1ccc(-n2cccn2)cc1.
What is the InChIKey of N-(1-methylsulfonylpropan-2-yl)-4-pyrazol-1-ylaniline?
The InChIKey is KTEYWQPGNHEQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-11(10-19(2,17)18)15-12-4-6-13(7-5-12)16-9-3-8-14-16/h3-9,11,15H,10H2,1-2H3.
What are the key properties of N-(1-methylsulfonylpropan-2-yl)-4-pyrazol-1-ylaniline?
N-(1-methylsulfonylpropan-2-yl)-4-pyrazol-1-ylaniline has a molecular weight of 279.37 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylsulfonylpropan-2-yl)-4-pyrazol-1-ylaniline is sourced from PubChem (CID 64629725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).