1-ethyl-N-(2-methoxy-1-pyridin-2-ylethyl)-N,5-dimethylpyrazole-4-sulfonamide

C15H22N4O3S — CID 131940028

IUPAC1-ethyl-N-(2-methoxy-1-pyridin-2-ylethyl)-N,5-dimethylpyrazole-4-sulfonamide
SMILESCCn1ncc(S(=O)(=O)N(C)C(COC)c2ccccn2)c1C
InChIInChI=1S/C15H22N4O3S/c1-5-19-12(2)15(10-17-19)23(20,21)18(3)14(11-22-4)13-8-6-7-9-16-13/h6-10,14H,5,11H2,1-4H3
InChIKeyURBUXACKLDXCPO-UHFFFAOYSA-N
MW338.43 g/mol
LogP1.61
Rot. Bonds7

About 1-ethyl-N-(2-methoxy-1-pyridin-2-ylethyl)-N,5-dimethylpyrazole-4-sulfonamide

1-ethyl-N-(2-methoxy-1-pyridin-2-ylethyl)-N,5-dimethylpyrazole-4-sulfonamide (PubChem CID 131940028) has the molecular formula C15H22N4O3S and a molecular weight of 338.43 g/mol. Its IUPAC name is 1-ethyl-N-(2-methoxy-1-pyridin-2-ylethyl)-N,5-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N-(2-methoxy-1-pyridin-2-ylethyl)-N,5-dimethylpyrazole-4-sulfonamide
PubChem CID131940028
Molecular FormulaC15H22N4O3S
Molecular Weight338.43 g/mol
Exact Mass338.14
IUPAC Name1-ethyl-N-(2-methoxy-1-pyridin-2-ylethyl)-N,5-dimethylpyrazole-4-sulfonamide
SMILESCCn1ncc(S(=O)(=O)N(C)C(COC)c2ccccn2)c1C
InChIInChI=1S/C15H22N4O3S/c1-5-19-12(2)15(10-17-19)23(20,21)18(3)14(11-22-4)13-8-6-7-9-16-13/h6-10,14H,5,11H2,1-4H3
InChIKeyURBUXACKLDXCPO-UHFFFAOYSA-N
XLogP1.61
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-ethyl-N-(2-methoxy-1-pyridin-2-ylethyl)-N-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide
CID 77092549
2-methoxy-N-methyl-N-(2-phenoxyethyl)-1-pyridin-2-ylethanamine
CID 91835024
1-(2,3-dihydroindol-1-yl)-2-[(2-methoxy-1-pyridin-2-ylethyl)-methylamino]ethanone
CID 91831700
2-[[(1R)-2-methoxy-1-pyridin-2-ylethyl]-methylamino]-1-morpholin-4-ylethanone
CID 124848970
N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-N-methyl-2-phenylpyrimidine-5-carboxamide
CID 95123486
2-ethyl-N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-1H-imidazole-5-sulfonamide
CID 125435513
N-[(1S)-2-methoxy-1-pyridin-2-ylethyl]-N,4-dimethyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 97146350
N-(1H-imidazol-2-ylmethyl)-2-methoxy-N-methyl-1-pyridin-2-ylethanamine
CID 50957317
1-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-1-methyl-3-(2-propylphenyl)urea
CID 97453326
4-chloro-N-(2-methoxy-1-pyridin-2-ylethyl)-N,1-dimethylpyrazole-3-carboxamide
CID 131933604
N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-N,2-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 95046571
4-(2,5-dimethylphenyl)-N-(2-methoxy-1-pyridin-2-ylethyl)-N-methylbenzamide
CID 119066040

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(2-methoxy-1-pyridin-2-ylethyl)-N,5-dimethylpyrazole-4-sulfonamide?
The IUPAC name of 1-ethyl-N-(2-methoxy-1-pyridin-2-ylethyl)-N,5-dimethylpyrazole-4-sulfonamide (CID 131940028) is 1-ethyl-N-(2-methoxy-1-pyridin-2-ylethyl)-N,5-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-N-(2-methoxy-1-pyridin-2-ylethyl)-N,5-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-N-(2-methoxy-1-pyridin-2-ylethyl)-N,5-dimethylpyrazole-4-sulfonamide is CCn1ncc(S(=O)(=O)N(C)C(COC)c2ccccn2)c1C.
What is the InChIKey of 1-ethyl-N-(2-methoxy-1-pyridin-2-ylethyl)-N,5-dimethylpyrazole-4-sulfonamide?
The InChIKey is URBUXACKLDXCPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3S/c1-5-19-12(2)15(10-17-19)23(20,21)18(3)14(11-22-4)13-8-6-7-9-16-13/h6-10,14H,5,11H2,1-4H3.
What are the key properties of 1-ethyl-N-(2-methoxy-1-pyridin-2-ylethyl)-N,5-dimethylpyrazole-4-sulfonamide?
1-ethyl-N-(2-methoxy-1-pyridin-2-ylethyl)-N,5-dimethylpyrazole-4-sulfonamide has a molecular weight of 338.43 g/mol, XLogP of 1.61, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(2-methoxy-1-pyridin-2-ylethyl)-N,5-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 131940028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).