N-[(2-methylpyrazol-3-yl)methyl]-1H-pyrazole-4-sulfonamide

C8H11N5O2S — CID 47372067

IUPACN-[(2-methylpyrazol-3-yl)methyl]-1H-pyrazole-4-sulfonamide
SMILESCn1nccc1CNS(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C8H11N5O2S/c1-13-7(2-3-11-13)4-12-16(14,15)8-5-9-10-6-8/h2-3,5-6,12H,4H2,1H3,(H,9,10)
InChIKeyKDBJCVMALGWTNN-UHFFFAOYSA-N
MW241.28 g/mol
LogP-0.38
Rot. Bonds4

About N-[(2-methylpyrazol-3-yl)methyl]-1H-pyrazole-4-sulfonamide

N-[(2-methylpyrazol-3-yl)methyl]-1H-pyrazole-4-sulfonamide (PubChem CID 47372067) has the molecular formula C8H11N5O2S and a molecular weight of 241.28 g/mol. Its IUPAC name is N-[(2-methylpyrazol-3-yl)methyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(2-methylpyrazol-3-yl)methyl]-1H-pyrazole-4-sulfonamide
PubChem CID47372067
Molecular FormulaC8H11N5O2S
Molecular Weight241.28 g/mol
Exact Mass241.06
IUPAC NameN-[(2-methylpyrazol-3-yl)methyl]-1H-pyrazole-4-sulfonamide
SMILESCn1nccc1CNS(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C8H11N5O2S/c1-13-7(2-3-11-13)4-12-16(14,15)8-5-9-10-6-8/h2-3,5-6,12H,4H2,1H3,(H,9,10)
InChIKeyKDBJCVMALGWTNN-UHFFFAOYSA-N
XLogP-0.38
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(cyclopropylamino)methyl]-N-[(2-methylpyrazol-3-yl)methyl]-1H-pyrazole-5-sulfonamide
CID 106064942
4-amino-3-fluoro-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 82844185
4-(3-hydroxyprop-1-ynyl)-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 63303726
2-[4-[(2-methylpyrazol-3-yl)methylsulfamoyl]phenyl]ethanethioamide
CID 79203528
1-ethyl-5-(methylaminomethyl)-N-[(2-methylpyrazol-3-yl)methyl]pyrrole-3-sulfonamide
CID 106065070
N-[(2-methylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 63303324
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 103697752
N-(2-chloropropyl)-1H-pyrazole-4-sulfonamide
CID 65033570
N-[(2-chlorophenyl)methyl]-1H-pyrazole-4-sulfonamide
CID 54934551
2-(methylaminomethyl)-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 106065065
3-amino-4-fluoro-2,6-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 107325827
5-methyl-4-(methylaminomethyl)-N-[(2-methylpyrazol-3-yl)methyl]-1H-pyrazole-3-sulfonamide
CID 106064978

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpyrazol-3-yl)methyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[(2-methylpyrazol-3-yl)methyl]-1H-pyrazole-4-sulfonamide (CID 47372067) is N-[(2-methylpyrazol-3-yl)methyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[(2-methylpyrazol-3-yl)methyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[(2-methylpyrazol-3-yl)methyl]-1H-pyrazole-4-sulfonamide is Cn1nccc1CNS(=O)(=O)c1cn[nH]c1.
What is the InChIKey of N-[(2-methylpyrazol-3-yl)methyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is KDBJCVMALGWTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O2S/c1-13-7(2-3-11-13)4-12-16(14,15)8-5-9-10-6-8/h2-3,5-6,12H,4H2,1H3,(H,9,10).
What are the key properties of N-[(2-methylpyrazol-3-yl)methyl]-1H-pyrazole-4-sulfonamide?
N-[(2-methylpyrazol-3-yl)methyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 241.28 g/mol, XLogP of -0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpyrazol-3-yl)methyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 47372067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).