[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]phenyl]methanesulfonamide

C12H16N4O2S — CID 43745275

IUPAC[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]phenyl]methanesulfonamide
SMILESCc1[nH]ncc1CNc1ccc(CS(N)(=O)=O)cc1
InChIInChI=1S/C12H16N4O2S/c1-9-11(7-15-16-9)6-14-12-4-2-10(3-5-12)8-19(13,17)18/h2-5,7,14H,6,8H2,1H3,(H,15,16)(H2,13,17,18)
InChIKeyYEQLDCGZMWBLCI-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.12
Rot. Bonds5

About [4-[(5-methyl-1H-pyrazol-4-yl)methylamino]phenyl]methanesulfonamide

[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]phenyl]methanesulfonamide (PubChem CID 43745275) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is [4-[(5-methyl-1H-pyrazol-4-yl)methylamino]phenyl]methanesulfonamide.

Molecular Properties

Compound Name[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]phenyl]methanesulfonamide
PubChem CID43745275
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC Name[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]phenyl]methanesulfonamide
SMILESCc1[nH]ncc1CNc1ccc(CS(N)(=O)=O)cc1
InChIInChI=1S/C12H16N4O2S/c1-9-11(7-15-16-9)6-14-12-4-2-10(3-5-12)8-19(13,17)18/h2-5,7,14H,6,8H2,1H3,(H,15,16)(H2,13,17,18)
InChIKeyYEQLDCGZMWBLCI-UHFFFAOYSA-N
XLogP1.12
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[(5-methyl-1H-pyrazol-4-yl)methylamino]phenyl]methanesulfonamide?
The IUPAC name of [4-[(5-methyl-1H-pyrazol-4-yl)methylamino]phenyl]methanesulfonamide (CID 43745275) is [4-[(5-methyl-1H-pyrazol-4-yl)methylamino]phenyl]methanesulfonamide.
What is the SMILES notation for [4-[(5-methyl-1H-pyrazol-4-yl)methylamino]phenyl]methanesulfonamide?
The canonical SMILES for [4-[(5-methyl-1H-pyrazol-4-yl)methylamino]phenyl]methanesulfonamide is Cc1[nH]ncc1CNc1ccc(CS(N)(=O)=O)cc1.
What is the InChIKey of [4-[(5-methyl-1H-pyrazol-4-yl)methylamino]phenyl]methanesulfonamide?
The InChIKey is YEQLDCGZMWBLCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-9-11(7-15-16-9)6-14-12-4-2-10(3-5-12)8-19(13,17)18/h2-5,7,14H,6,8H2,1H3,(H,15,16)(H2,13,17,18).
What are the key properties of [4-[(5-methyl-1H-pyrazol-4-yl)methylamino]phenyl]methanesulfonamide?
[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]phenyl]methanesulfonamide has a molecular weight of 280.35 g/mol, XLogP of 1.12, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5-methyl-1H-pyrazol-4-yl)methylamino]phenyl]methanesulfonamide is sourced from PubChem (CID 43745275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).