4-(ethylaminomethyl)-5-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1H-pyrazole-3-sulfonamide

C12H19N5O3S — CID 106378084

IUPAC4-(ethylaminomethyl)-5-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1H-pyrazole-3-sulfonamide
SMILESCCNCc1c(S(=O)(=O)NCc2ncc(C)o2)n[nH]c1C
InChIInChI=1S/C12H19N5O3S/c1-4-13-6-10-9(3)16-17-12(10)21(18,19)15-7-11-14-5-8(2)20-11/h5,13,15H,4,6-7H2,1-3H3,(H,16,17)
InChIKeyUVAFRQILJVJEAG-UHFFFAOYSA-N
MW313.38 g/mol
LogP0.60
Rot. Bonds7

About 4-(ethylaminomethyl)-5-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1H-pyrazole-3-sulfonamide

4-(ethylaminomethyl)-5-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1H-pyrazole-3-sulfonamide (PubChem CID 106378084) has the molecular formula C12H19N5O3S and a molecular weight of 313.38 g/mol. Its IUPAC name is 4-(ethylaminomethyl)-5-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1H-pyrazole-3-sulfonamide.

Molecular Properties

Compound Name4-(ethylaminomethyl)-5-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1H-pyrazole-3-sulfonamide
PubChem CID106378084
Molecular FormulaC12H19N5O3S
Molecular Weight313.38 g/mol
Exact Mass313.12
IUPAC Name4-(ethylaminomethyl)-5-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1H-pyrazole-3-sulfonamide
SMILESCCNCc1c(S(=O)(=O)NCc2ncc(C)o2)n[nH]c1C
InChIInChI=1S/C12H19N5O3S/c1-4-13-6-10-9(3)16-17-12(10)21(18,19)15-7-11-14-5-8(2)20-11/h5,13,15H,4,6-7H2,1-3H3,(H,16,17)
InChIKeyUVAFRQILJVJEAG-UHFFFAOYSA-N
XLogP0.60
TPSA112.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-(ethylaminomethyl)-5-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1H-pyrazole-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(ethylaminomethyl)-5-methyl-N-(oxan-4-ylmethyl)-1H-pyrazole-3-sulfonamide
CID 106062981
4-(ethylaminomethyl)-5-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1H-pyrazole-3-sulfonamide
CID 106411271
4-(ethylaminomethyl)-5-methyl-N-(3-methylbutan-2-yl)-1H-pyrazole-3-sulfonamide
CID 106029941
N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanesulfonamide
CID 110660417
4-(ethylaminomethyl)-5-methyl-N-(4-methylpentan-2-yl)-1H-pyrazole-3-sulfonamide
CID 106028545
4-(ethylaminomethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]thiophene-2-sulfonamide
CID 106378210
4-(ethylaminomethyl)-5-methyl-N-(2-methylpentan-3-yl)-1H-pyrazole-3-sulfonamide
CID 106018854
1-[2-(ethylamino)ethyl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrazole-4-sulfonamide
CID 106378170
N-(5-bromo-2-pyridinyl)-4-(ethylaminomethyl)-5-methyl-1H-pyrazole-3-sulfonamide
CID 106020549
4-(ethylaminomethyl)-5-methyl-N-(oxan-3-ylmethyl)-1H-pyrazole-3-sulfonamide
CID 106016475
3-(ethylamino)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridine-2-sulfonamide
CID 106376687
4-acetyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 110660491

Frequently Asked Questions

What is the IUPAC name of 4-(ethylaminomethyl)-5-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1H-pyrazole-3-sulfonamide?
The IUPAC name of 4-(ethylaminomethyl)-5-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1H-pyrazole-3-sulfonamide (CID 106378084) is 4-(ethylaminomethyl)-5-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1H-pyrazole-3-sulfonamide.
What is the SMILES notation for 4-(ethylaminomethyl)-5-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1H-pyrazole-3-sulfonamide?
The canonical SMILES for 4-(ethylaminomethyl)-5-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1H-pyrazole-3-sulfonamide is CCNCc1c(S(=O)(=O)NCc2ncc(C)o2)n[nH]c1C.
What is the InChIKey of 4-(ethylaminomethyl)-5-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1H-pyrazole-3-sulfonamide?
The InChIKey is UVAFRQILJVJEAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O3S/c1-4-13-6-10-9(3)16-17-12(10)21(18,19)15-7-11-14-5-8(2)20-11/h5,13,15H,4,6-7H2,1-3H3,(H,16,17).
What are the key properties of 4-(ethylaminomethyl)-5-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1H-pyrazole-3-sulfonamide?
4-(ethylaminomethyl)-5-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1H-pyrazole-3-sulfonamide has a molecular weight of 313.38 g/mol, XLogP of 0.60, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylaminomethyl)-5-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1H-pyrazole-3-sulfonamide is sourced from PubChem (CID 106378084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).