1-[3-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methylamino]-4-methylsulfonylphenyl]ethanone

C17H23N3O4S — CID 133463115

IUPAC1-[3-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methylamino]-4-methylsulfonylphenyl]ethanone
SMILESCCc1nn(C)c(OC)c1CNc1cc(C(C)=O)ccc1S(C)(=O)=O
InChIInChI=1S/C17H23N3O4S/c1-6-14-13(17(24-4)20(3)19-14)10-18-15-9-12(11(2)21)7-8-16(15)25(5,22)23/h7-9,18H,6,10H2,1-5H3
InChIKeyRRSXYCIWBPUVRF-UHFFFAOYSA-N
MW365.46 g/mol
LogP2.21
Rot. Bonds7

About 1-[3-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methylamino]-4-methylsulfonylphenyl]ethanone

1-[3-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methylamino]-4-methylsulfonylphenyl]ethanone (PubChem CID 133463115) has the molecular formula C17H23N3O4S and a molecular weight of 365.46 g/mol. Its IUPAC name is 1-[3-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methylamino]-4-methylsulfonylphenyl]ethanone.

Molecular Properties

Compound Name1-[3-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methylamino]-4-methylsulfonylphenyl]ethanone
PubChem CID133463115
Molecular FormulaC17H23N3O4S
Molecular Weight365.46 g/mol
Exact Mass365.14
IUPAC Name1-[3-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methylamino]-4-methylsulfonylphenyl]ethanone
SMILESCCc1nn(C)c(OC)c1CNc1cc(C(C)=O)ccc1S(C)(=O)=O
InChIInChI=1S/C17H23N3O4S/c1-6-14-13(17(24-4)20(3)19-14)10-18-15-9-12(11(2)21)7-8-16(15)25(5,22)23/h7-9,18H,6,10H2,1-5H3
InChIKeyRRSXYCIWBPUVRF-UHFFFAOYSA-N
XLogP2.21
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-chloro-2-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methylamino]benzonitrile
CID 133445835
3-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methylsulfamoyl]benzoic acid
CID 136549096
[3-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methylamino]-4-nitrophenyl]methanol
CID 133438795
methyl 6-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methylamino]pyridazine-3-carboxylate
CID 133445681
N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-4-methyl-2-nitroaniline
CID 133445731
2-bromo-N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-4-nitroaniline
CID 133445565
N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-2-fluoro-4-nitroaniline
CID 133445757
3-N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-4-nitrobenzene-1,3-diamine
CID 122159788
1-[3-(furan-2-ylmethylamino)-4-methylsulfonylphenyl]ethanone
CID 133462511
6-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methylamino]-N-methylpyridazine-3-carboxamide
CID 133445721
3-ethyl-N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-1-methyl-4-nitropyrazol-5-amine
CID 133445796
3-chloro-2-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methylamino]benzonitrile
CID 133445623

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methylamino]-4-methylsulfonylphenyl]ethanone?
The IUPAC name of 1-[3-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methylamino]-4-methylsulfonylphenyl]ethanone (CID 133463115) is 1-[3-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methylamino]-4-methylsulfonylphenyl]ethanone.
What is the SMILES notation for 1-[3-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methylamino]-4-methylsulfonylphenyl]ethanone?
The canonical SMILES for 1-[3-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methylamino]-4-methylsulfonylphenyl]ethanone is CCc1nn(C)c(OC)c1CNc1cc(C(C)=O)ccc1S(C)(=O)=O.
What is the InChIKey of 1-[3-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methylamino]-4-methylsulfonylphenyl]ethanone?
The InChIKey is RRSXYCIWBPUVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4S/c1-6-14-13(17(24-4)20(3)19-14)10-18-15-9-12(11(2)21)7-8-16(15)25(5,22)23/h7-9,18H,6,10H2,1-5H3.
What are the key properties of 1-[3-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methylamino]-4-methylsulfonylphenyl]ethanone?
1-[3-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methylamino]-4-methylsulfonylphenyl]ethanone has a molecular weight of 365.46 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methylamino]-4-methylsulfonylphenyl]ethanone is sourced from PubChem (CID 133463115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).