4-(aminomethyl)-N-(2-methylpropyl)-N-pentan-3-yl-1H-pyrazole-5-sulfonamide

C13H26N4O2S — CID 79500868

IUPAC4-(aminomethyl)-N-(2-methylpropyl)-N-pentan-3-yl-1H-pyrazole-5-sulfonamide
SMILESCCC(CC)N(CC(C)C)S(=O)(=O)c1[nH]ncc1CN
InChIInChI=1S/C13H26N4O2S/c1-5-12(6-2)17(9-10(3)4)20(18,19)13-11(7-14)8-15-16-13/h8,10,12H,5-7,9,14H2,1-4H3,(H,15,16)
InChIKeyMQGUSXHMABTOOV-UHFFFAOYSA-N
MW302.44 g/mol
LogP1.70
Rot. Bonds8

About 4-(aminomethyl)-N-(2-methylpropyl)-N-pentan-3-yl-1H-pyrazole-5-sulfonamide

4-(aminomethyl)-N-(2-methylpropyl)-N-pentan-3-yl-1H-pyrazole-5-sulfonamide (PubChem CID 79500868) has the molecular formula C13H26N4O2S and a molecular weight of 302.44 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2-methylpropyl)-N-pentan-3-yl-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2-methylpropyl)-N-pentan-3-yl-1H-pyrazole-5-sulfonamide
PubChem CID79500868
Molecular FormulaC13H26N4O2S
Molecular Weight302.44 g/mol
Exact Mass302.18
IUPAC Name4-(aminomethyl)-N-(2-methylpropyl)-N-pentan-3-yl-1H-pyrazole-5-sulfonamide
SMILESCCC(CC)N(CC(C)C)S(=O)(=O)c1[nH]ncc1CN
InChIInChI=1S/C13H26N4O2S/c1-5-12(6-2)17(9-10(3)4)20(18,19)13-11(7-14)8-15-16-13/h8,10,12H,5-7,9,14H2,1-4H3,(H,15,16)
InChIKeyMQGUSXHMABTOOV-UHFFFAOYSA-N
XLogP1.70
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-methylpropyl(propan-2-yl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 60950521
4-(aminomethyl)-N-(3-ethylpentan-2-yl)-1H-pyrazole-5-sulfonamide
CID 106063300
4-(aminomethyl)-N-(3-methylbutan-2-yl)-1H-pyrazole-5-sulfonamide
CID 106029958
6-amino-N-(2-methylpropyl)-N-pentan-3-ylpyridine-3-sulfonamide
CID 79483194
4-(aminomethyl)-N-(1-methylsulfanylbutan-2-yl)-1H-pyrazole-5-sulfonamide
CID 114142292
5-[2-methoxyethyl(pentan-3-yl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 60951166
2-(aminomethyl)-4-methyl-N-(2-methylpropyl)-N-pentan-3-ylthiophene-3-sulfonamide
CID 102754332
2-amino-N-(2-methylpropyl)-N-pentan-3-ylbenzenesulfonamide
CID 79484270
3-amino-4-hydroxy-N-(2-methylpropyl)-N-pentan-3-ylbenzenesulfonamide
CID 79490220
3-amino-2-methyl-N-(2-methylpropyl)-N-pentan-3-ylbenzenesulfonamide
CID 79490206
4-(aminomethyl)-5-[[methyl(propan-2-yl)sulfamoyl]amino]-1H-pyrazole
CID 79504575
4-(aminomethyl)-N-(2-ethoxyethyl)-1H-pyrazole-5-sulfonamide
CID 106019742

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2-methylpropyl)-N-pentan-3-yl-1H-pyrazole-5-sulfonamide?
The IUPAC name of 4-(aminomethyl)-N-(2-methylpropyl)-N-pentan-3-yl-1H-pyrazole-5-sulfonamide (CID 79500868) is 4-(aminomethyl)-N-(2-methylpropyl)-N-pentan-3-yl-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-(2-methylpropyl)-N-pentan-3-yl-1H-pyrazole-5-sulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-(2-methylpropyl)-N-pentan-3-yl-1H-pyrazole-5-sulfonamide is CCC(CC)N(CC(C)C)S(=O)(=O)c1[nH]ncc1CN.
What is the InChIKey of 4-(aminomethyl)-N-(2-methylpropyl)-N-pentan-3-yl-1H-pyrazole-5-sulfonamide?
The InChIKey is MQGUSXHMABTOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O2S/c1-5-12(6-2)17(9-10(3)4)20(18,19)13-11(7-14)8-15-16-13/h8,10,12H,5-7,9,14H2,1-4H3,(H,15,16).
What are the key properties of 4-(aminomethyl)-N-(2-methylpropyl)-N-pentan-3-yl-1H-pyrazole-5-sulfonamide?
4-(aminomethyl)-N-(2-methylpropyl)-N-pentan-3-yl-1H-pyrazole-5-sulfonamide has a molecular weight of 302.44 g/mol, XLogP of 1.70, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(2-methylpropyl)-N-pentan-3-yl-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 79500868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).