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

C12H19N5O3S — CID 106378170

IUPAC1-[2-(ethylamino)ethyl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrazole-4-sulfonamide
SMILESCCNCCn1cc(S(=O)(=O)NCc2ncc(C)o2)cn1
InChIInChI=1S/C12H19N5O3S/c1-3-13-4-5-17-9-11(7-15-17)21(18,19)16-8-12-14-6-10(2)20-12/h6-7,9,13,16H,3-5,8H2,1-2H3
InChIKeyUFTCCXSNWHPVJM-UHFFFAOYSA-N
MW313.38 g/mol
LogP0.27
Rot. Bonds8

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

1-[2-(ethylamino)ethyl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrazole-4-sulfonamide (PubChem CID 106378170) has the molecular formula C12H19N5O3S and a molecular weight of 313.38 g/mol. Its IUPAC name is 1-[2-(ethylamino)ethyl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-[2-(ethylamino)ethyl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrazole-4-sulfonamide
PubChem CID106378170
Molecular FormulaC12H19N5O3S
Molecular Weight313.38 g/mol
Exact Mass313.12
IUPAC Name1-[2-(ethylamino)ethyl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrazole-4-sulfonamide
SMILESCCNCCn1cc(S(=O)(=O)NCc2ncc(C)o2)cn1
InChIInChI=1S/C12H19N5O3S/c1-3-13-4-5-17-9-11(7-15-17)21(18,19)16-8-12-14-6-10(2)20-12/h6-7,9,13,16H,3-5,8H2,1-2H3
InChIKeyUFTCCXSNWHPVJM-UHFFFAOYSA-N
XLogP0.27
TPSA102.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-(ethylamino)ethyl]-N-(1,2-oxazol-5-ylmethyl)pyrazole-4-sulfonamide
CID 106423967
1-[2-(ethylamino)ethyl]-N-pentylpyrazole-4-sulfonamide
CID 106058154
N-(cyclohexylmethyl)-1-[2-(ethylamino)ethyl]pyrazole-4-sulfonamide
CID 106027786
1-[2-(ethylamino)ethyl]-N-(oxan-3-ylmethyl)pyrazole-4-sulfonamide
CID 106016439
1-[2-(ethylamino)ethyl]-N-(3-methylsulfanylbutyl)pyrazole-4-sulfonamide
CID 106082166
4-(ethylaminomethyl)-5-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1H-pyrazole-3-sulfonamide
CID 106378084
1-[2-(ethylamino)ethyl]-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-4-sulfonamide
CID 106060932
5-(aminomethyl)-1-ethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrole-3-sulfonamide
CID 106378199
1-[2-(propylamino)ethyl]-N-(1H-1,2,4-triazol-5-ylmethyl)pyrazole-4-sulfonamide
CID 106013151
N-(1H-imidazol-2-ylmethyl)-1-[2-(propylamino)ethyl]pyrazole-4-sulfonamide
CID 106069221
1-[2-(ethylamino)ethyl]-N-[(1-methylsulfanylcyclobutyl)methyl]pyrazole-4-sulfonamide
CID 106090606
N-(1-ethoxypropan-2-yl)-1-[2-(ethylamino)ethyl]pyrazole-4-sulfonamide
CID 106054208

Frequently Asked Questions

What is the IUPAC name of 1-[2-(ethylamino)ethyl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrazole-4-sulfonamide?
The IUPAC name of 1-[2-(ethylamino)ethyl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrazole-4-sulfonamide (CID 106378170) is 1-[2-(ethylamino)ethyl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-[2-(ethylamino)ethyl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-[2-(ethylamino)ethyl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrazole-4-sulfonamide is CCNCCn1cc(S(=O)(=O)NCc2ncc(C)o2)cn1.
What is the InChIKey of 1-[2-(ethylamino)ethyl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrazole-4-sulfonamide?
The InChIKey is UFTCCXSNWHPVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O3S/c1-3-13-4-5-17-9-11(7-15-17)21(18,19)16-8-12-14-6-10(2)20-12/h6-7,9,13,16H,3-5,8H2,1-2H3.
What are the key properties of 1-[2-(ethylamino)ethyl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrazole-4-sulfonamide?
1-[2-(ethylamino)ethyl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrazole-4-sulfonamide has a molecular weight of 313.38 g/mol, XLogP of 0.27, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(ethylamino)ethyl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 106378170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).