5-methyl-N-[(1-methylpyrrol-2-yl)methyl]-1H-pyrazole-4-sulfonamide

C10H14N4O2S — CID 103710703

IUPAC5-methyl-N-[(1-methylpyrrol-2-yl)methyl]-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)NCc1cccn1C
InChIInChI=1S/C10H14N4O2S/c1-8-10(7-11-13-8)17(15,16)12-6-9-4-3-5-14(9)2/h3-5,7,12H,6H2,1-2H3,(H,11,13)
InChIKeyKQTILFUKPFHGHS-UHFFFAOYSA-N
MW254.31 g/mol
LogP0.54
Rot. Bonds4

About 5-methyl-N-[(1-methylpyrrol-2-yl)methyl]-1H-pyrazole-4-sulfonamide

5-methyl-N-[(1-methylpyrrol-2-yl)methyl]-1H-pyrazole-4-sulfonamide (PubChem CID 103710703) has the molecular formula C10H14N4O2S and a molecular weight of 254.31 g/mol. Its IUPAC name is 5-methyl-N-[(1-methylpyrrol-2-yl)methyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-methyl-N-[(1-methylpyrrol-2-yl)methyl]-1H-pyrazole-4-sulfonamide
PubChem CID103710703
Molecular FormulaC10H14N4O2S
Molecular Weight254.31 g/mol
Exact Mass254.08
IUPAC Name5-methyl-N-[(1-methylpyrrol-2-yl)methyl]-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)NCc1cccn1C
InChIInChI=1S/C10H14N4O2S/c1-8-10(7-11-13-8)17(15,16)12-6-9-4-3-5-14(9)2/h3-5,7,12H,6H2,1-2H3,(H,11,13)
InChIKeyKQTILFUKPFHGHS-UHFFFAOYSA-N
XLogP0.54
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,5-Dimethylpyrazol-1-yl)pyridine-3-sulfonamide
CID 73351066
1-ethyl-N-(pyridin-3-yl)-1H-pyrazole-4-sulfonamide
CID 6466340
1-ethyl-5-methyl-N-(pyridin-3-yl)-1H-pyrazole-4-sulfonamide
CID 6470411
8-Methyl-11-(trifluoromethyl)-7lambda6-thia-3,4,8,10-tetrazatricyclo[8.3.0.02,6]trideca-1(13),2(6),4,11-tetraene 7,7-dioxide
CID 155936731
1,3-dimethyl-N-(pyridin-2-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 6465680
5-Pyridin-3-ylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
CID 53185451
1,3-dimethyl-N-(3-pyridinylmethyl)-1H-pyrazole-4-sulfonamide
CID 6467759
N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 20963879
N-[(1-benzyl-1H-pyrrol-2-yl)methyl]-1-(difluoromethyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 53000375
N,5-dimethyl-N-(pyridin-4-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 54929779
1,3,5-trimethyl-N-[(1R)-1-pyridin-2-ylpropyl]pyrazole-4-sulfonamide
CID 126829839
2-[2-[(2R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]ethyl]pyridine
CID 136589362

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(1-methylpyrrol-2-yl)methyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-methyl-N-[(1-methylpyrrol-2-yl)methyl]-1H-pyrazole-4-sulfonamide (CID 103710703) is 5-methyl-N-[(1-methylpyrrol-2-yl)methyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-methyl-N-[(1-methylpyrrol-2-yl)methyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-methyl-N-[(1-methylpyrrol-2-yl)methyl]-1H-pyrazole-4-sulfonamide is Cc1[nH]ncc1S(=O)(=O)NCc1cccn1C.
What is the InChIKey of 5-methyl-N-[(1-methylpyrrol-2-yl)methyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is KQTILFUKPFHGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2S/c1-8-10(7-11-13-8)17(15,16)12-6-9-4-3-5-14(9)2/h3-5,7,12H,6H2,1-2H3,(H,11,13).
What are the key properties of 5-methyl-N-[(1-methylpyrrol-2-yl)methyl]-1H-pyrazole-4-sulfonamide?
5-methyl-N-[(1-methylpyrrol-2-yl)methyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 254.31 g/mol, XLogP of 0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(1-methylpyrrol-2-yl)methyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 103710703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).