N-(5-methyl-1H-pyrazol-4-yl)methanesulfonamide

C5H9N3O2S — CID 126995059

IUPACN-(5-methyl-1H-pyrazol-4-yl)methanesulfonamide
SMILESCc1[nH]ncc1NS(C)(=O)=O
InChIInChI=1S/C5H9N3O2S/c1-4-5(3-6-7-4)8-11(2,9)10/h3,8H,1-2H3,(H,6,7)
InChIKeyHUDXJHKIWDWWDV-UHFFFAOYSA-N
MW175.21 g/mol
LogP0.09
Rot. Bonds2

About N-(5-methyl-1H-pyrazol-4-yl)methanesulfonamide

N-(5-methyl-1H-pyrazol-4-yl)methanesulfonamide (PubChem CID 126995059) has the molecular formula C5H9N3O2S and a molecular weight of 175.21 g/mol. Its IUPAC name is N-(5-methyl-1H-pyrazol-4-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(5-methyl-1H-pyrazol-4-yl)methanesulfonamide
PubChem CID126995059
Molecular FormulaC5H9N3O2S
Molecular Weight175.21 g/mol
Exact Mass175.04
IUPAC NameN-(5-methyl-1H-pyrazol-4-yl)methanesulfonamide
SMILESCc1[nH]ncc1NS(C)(=O)=O
InChIInChI=1S/C5H9N3O2S/c1-4-5(3-6-7-4)8-11(2,9)10/h3,8H,1-2H3,(H,6,7)
InChIKeyHUDXJHKIWDWWDV-UHFFFAOYSA-N
XLogP0.09
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.21
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-difluorophenyl)-N-(5-methyl-1H-pyrazol-4-yl)methanesulfonamide
CID 131962916
N-(4-fluorophenyl)-4-(methanesulfonamido)-1H-pyrazole-5-carboxamide
CID 59733321
N-(5-methyl-1H-pyrazol-4-yl)-1-[4-(trifluoromethoxy)phenyl]methanesulfonamide
CID 100687501
1,1-dimethyl-3-(5-methyl-1H-pyrazol-4-yl)urea
CID 20784611
2-methyl-N-(5-methyl-1H-pyrazol-4-yl)propanamide
CID 130719724
N-(2,5-dimethyl-4-pyridinyl)methanesulfonamide
CID 126987931
N-(2,5-dimethyl-3-pyridinyl)methanesulfonamide
CID 123795564
N-[4-(3-chloroanilino)-1H-pyrazol-5-yl]methanesulfonamide
CID 57244208
2-methyl-2-(methylamino)-N-(5-methyl-1H-pyrazol-4-yl)propanamide
CID 83618057
2-N-(5-methyl-1H-pyrazol-4-yl)-1,3,5-triazine-2,4-diamine
CID 83619125
N-[2-[(5-bromo-6-oxo-1H-pyridazin-4-yl)amino]ethyl]methanesulfonamide
CID 114385927
N-(6-amino-2,3-dimethylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 54929809

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1H-pyrazol-4-yl)methanesulfonamide?
The IUPAC name of N-(5-methyl-1H-pyrazol-4-yl)methanesulfonamide (CID 126995059) is N-(5-methyl-1H-pyrazol-4-yl)methanesulfonamide.
What is the SMILES notation for N-(5-methyl-1H-pyrazol-4-yl)methanesulfonamide?
The canonical SMILES for N-(5-methyl-1H-pyrazol-4-yl)methanesulfonamide is Cc1[nH]ncc1NS(C)(=O)=O.
What is the InChIKey of N-(5-methyl-1H-pyrazol-4-yl)methanesulfonamide?
The InChIKey is HUDXJHKIWDWWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O2S/c1-4-5(3-6-7-4)8-11(2,9)10/h3,8H,1-2H3,(H,6,7).
What are the key properties of N-(5-methyl-1H-pyrazol-4-yl)methanesulfonamide?
N-(5-methyl-1H-pyrazol-4-yl)methanesulfonamide has a molecular weight of 175.21 g/mol, XLogP of 0.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1H-pyrazol-4-yl)methanesulfonamide is sourced from PubChem (CID 126995059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).