3-(aminomethyl)-N-(2-ethylcyclopropyl)-5-methyl-1H-pyrazole-4-sulfonamide

C10H18N4O2S — CID 114109939

IUPAC3-(aminomethyl)-N-(2-ethylcyclopropyl)-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCCC1CC1NS(=O)(=O)c1c(CN)n[nH]c1C
InChIInChI=1S/C10H18N4O2S/c1-3-7-4-8(7)14-17(15,16)10-6(2)12-13-9(10)5-11/h7-8,14H,3-5,11H2,1-2H3,(H,12,13)
InChIKeyVXZXXLDFWQQYSQ-UHFFFAOYSA-N
MW258.35 g/mol
LogP0.25
Rot. Bonds5

About 3-(aminomethyl)-N-(2-ethylcyclopropyl)-5-methyl-1H-pyrazole-4-sulfonamide

3-(aminomethyl)-N-(2-ethylcyclopropyl)-5-methyl-1H-pyrazole-4-sulfonamide (PubChem CID 114109939) has the molecular formula C10H18N4O2S and a molecular weight of 258.35 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(2-ethylcyclopropyl)-5-methyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-(2-ethylcyclopropyl)-5-methyl-1H-pyrazole-4-sulfonamide
PubChem CID114109939
Molecular FormulaC10H18N4O2S
Molecular Weight258.35 g/mol
Exact Mass258.12
IUPAC Name3-(aminomethyl)-N-(2-ethylcyclopropyl)-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCCC1CC1NS(=O)(=O)c1c(CN)n[nH]c1C
InChIInChI=1S/C10H18N4O2S/c1-3-7-4-8(7)14-17(15,16)10-6(2)12-13-9(10)5-11/h7-8,14H,3-5,11H2,1-2H3,(H,12,13)
InChIKeyVXZXXLDFWQQYSQ-UHFFFAOYSA-N
XLogP0.25
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(aminomethyl)-5-methyl-N-(4-methylsulfanylcyclohexyl)-1H-pyrazole-4-sulfonamide
CID 106090808
3-(aminomethyl)-5-methyl-N-(3-methylsulfanylcyclohexyl)-1H-pyrazole-4-sulfonamide
CID 106091380
3-(aminomethyl)-N-[2-(diethylamino)ethyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 106035205
3-(aminomethyl)-N-[2-[ethyl(methyl)amino]ethyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 106055948
3-(aminomethyl)-5-methyl-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyrazole-4-sulfonamide
CID 106218688
3-(aminomethyl)-N-[2-[ethyl(propyl)amino]ethyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 106094251
3-(aminomethyl)-5-methyl-N-(thian-2-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 106072257
3,5-dimethyl-N-(2-methylcyclopropyl)-1H-pyrazole-4-sulfonamide
CID 62409421
3-(aminomethyl)-5-methyl-N-(thiolan-3-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 114142517
3-(aminomethyl)-5-methyl-N-(5-methyl-3-pyridinyl)-1H-pyrazole-4-sulfonamide
CID 106088096
3-(aminomethyl)-N-(2-bromo-5-chlorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 106073368
5-methyl-3-(methylaminomethyl)-N-(3-methylcyclobutyl)-1H-pyrazole-4-sulfonamide
CID 113467562

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(2-ethylcyclopropyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of 3-(aminomethyl)-N-(2-ethylcyclopropyl)-5-methyl-1H-pyrazole-4-sulfonamide (CID 114109939) is 3-(aminomethyl)-N-(2-ethylcyclopropyl)-5-methyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 3-(aminomethyl)-N-(2-ethylcyclopropyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 3-(aminomethyl)-N-(2-ethylcyclopropyl)-5-methyl-1H-pyrazole-4-sulfonamide is CCC1CC1NS(=O)(=O)c1c(CN)n[nH]c1C.
What is the InChIKey of 3-(aminomethyl)-N-(2-ethylcyclopropyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The InChIKey is VXZXXLDFWQQYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2S/c1-3-7-4-8(7)14-17(15,16)10-6(2)12-13-9(10)5-11/h7-8,14H,3-5,11H2,1-2H3,(H,12,13).
What are the key properties of 3-(aminomethyl)-N-(2-ethylcyclopropyl)-5-methyl-1H-pyrazole-4-sulfonamide?
3-(aminomethyl)-N-(2-ethylcyclopropyl)-5-methyl-1H-pyrazole-4-sulfonamide has a molecular weight of 258.35 g/mol, XLogP of 0.25, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(2-ethylcyclopropyl)-5-methyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 114109939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).