5-methyl-3-(methylaminomethyl)-N-pyrimidin-5-yl-1H-pyrazole-4-sulfonamide

C10H14N6O2S — CID 106088574

IUPAC5-methyl-3-(methylaminomethyl)-N-pyrimidin-5-yl-1H-pyrazole-4-sulfonamide
SMILESCNCc1n[nH]c(C)c1S(=O)(=O)Nc1cncnc1
InChIInChI=1S/C10H14N6O2S/c1-7-10(9(5-11-2)15-14-7)19(17,18)16-8-3-12-6-13-4-8/h3-4,6,11,16H,5H2,1-2H3,(H,14,15)
InChIKeyCHBXJQQTTHCHNV-UHFFFAOYSA-N
MW282.33 g/mol
LogP0.03
Rot. Bonds5

About 5-methyl-3-(methylaminomethyl)-N-pyrimidin-5-yl-1H-pyrazole-4-sulfonamide

5-methyl-3-(methylaminomethyl)-N-pyrimidin-5-yl-1H-pyrazole-4-sulfonamide (PubChem CID 106088574) has the molecular formula C10H14N6O2S and a molecular weight of 282.33 g/mol. Its IUPAC name is 5-methyl-3-(methylaminomethyl)-N-pyrimidin-5-yl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-methyl-3-(methylaminomethyl)-N-pyrimidin-5-yl-1H-pyrazole-4-sulfonamide
PubChem CID106088574
Molecular FormulaC10H14N6O2S
Molecular Weight282.33 g/mol
Exact Mass282.09
IUPAC Name5-methyl-3-(methylaminomethyl)-N-pyrimidin-5-yl-1H-pyrazole-4-sulfonamide
SMILESCNCc1n[nH]c(C)c1S(=O)(=O)Nc1cncnc1
InChIInChI=1S/C10H14N6O2S/c1-7-10(9(5-11-2)15-14-7)19(17,18)16-8-3-12-6-13-4-8/h3-4,6,11,16H,5H2,1-2H3,(H,14,15)
InChIKeyCHBXJQQTTHCHNV-UHFFFAOYSA-N
XLogP0.03
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-3-(methylaminomethyl)-N-pyridin-3-yl-1H-pyrazole-4-sulfonamide
CID 106032980
5-methyl-3-(methylaminomethyl)-N-(1H-pyrazol-4-yl)-1H-pyrazole-4-sulfonamide
CID 114134468
3,5-dimethyl-N-pyrimidin-5-yl-1H-pyrazole-4-sulfonamide
CID 113462575
N-(4-bromo-3-fluorophenyl)-5-methyl-3-(methylaminomethyl)-1H-pyrazole-4-sulfonamide
CID 106067066
N',N',5-trimethyl-3-(methylaminomethyl)-1H-pyrazole-4-sulfonohydrazide
CID 106074682
5-methyl-3-(methylaminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)-1H-pyrazole-4-sulfonamide
CID 106081725
N-(3-ethyl-1-methylpyrazol-4-yl)-5-methyl-3-(methylaminomethyl)-1H-pyrazole-4-sulfonamide
CID 106090329
3-(aminomethyl)-5-methyl-N-(5-methyl-3-pyridinyl)-1H-pyrazole-4-sulfonamide
CID 106088096
N-(2-methoxyphenyl)-5-methyl-3-(methylaminomethyl)-1H-pyrazole-4-sulfonamide
CID 106044765
N-(3-bromo-2-methylphenyl)-5-methyl-3-(methylaminomethyl)-1H-pyrazole-4-sulfonamide
CID 106088134
4-(methylaminomethyl)-N-pyrimidin-5-yl-1H-pyrazole-5-sulfonamide
CID 106088621
N-[2-(dimethylamino)ethyl]-5-methyl-3-(methylaminomethyl)-1H-pyrazole-4-sulfonamide
CID 106032316

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(methylaminomethyl)-N-pyrimidin-5-yl-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-methyl-3-(methylaminomethyl)-N-pyrimidin-5-yl-1H-pyrazole-4-sulfonamide (CID 106088574) is 5-methyl-3-(methylaminomethyl)-N-pyrimidin-5-yl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-methyl-3-(methylaminomethyl)-N-pyrimidin-5-yl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-methyl-3-(methylaminomethyl)-N-pyrimidin-5-yl-1H-pyrazole-4-sulfonamide is CNCc1n[nH]c(C)c1S(=O)(=O)Nc1cncnc1.
What is the InChIKey of 5-methyl-3-(methylaminomethyl)-N-pyrimidin-5-yl-1H-pyrazole-4-sulfonamide?
The InChIKey is CHBXJQQTTHCHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O2S/c1-7-10(9(5-11-2)15-14-7)19(17,18)16-8-3-12-6-13-4-8/h3-4,6,11,16H,5H2,1-2H3,(H,14,15).
What are the key properties of 5-methyl-3-(methylaminomethyl)-N-pyrimidin-5-yl-1H-pyrazole-4-sulfonamide?
5-methyl-3-(methylaminomethyl)-N-pyrimidin-5-yl-1H-pyrazole-4-sulfonamide has a molecular weight of 282.33 g/mol, XLogP of 0.03, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(methylaminomethyl)-N-pyrimidin-5-yl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 106088574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).