4-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-2-[3-(4-methoxyphenyl)pyrazin-2-yl]morpholine

C21H25N5O4S — CID 127251185

IUPAC4-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-2-[3-(4-methoxyphenyl)pyrazin-2-yl]morpholine
SMILESCCn1cc(S(=O)(=O)N2CCOC(c3nccnc3-c3ccc(OC)cc3)C2)c(C)n1
InChIInChI=1S/C21H25N5O4S/c1-4-25-14-19(15(2)24-25)31(27,28)26-11-12-30-18(13-26)21-20(22-9-10-23-21)16-5-7-17(29-3)8-6-16/h5-10,14,18H,4,11-13H2,1-3H3
InChIKeyBYYREALWPOXRHH-UHFFFAOYSA-N
MW443.53 g/mol
LogP2.44
Rot. Bonds6

About 4-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-2-[3-(4-methoxyphenyl)pyrazin-2-yl]morpholine

4-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-2-[3-(4-methoxyphenyl)pyrazin-2-yl]morpholine (PubChem CID 127251185) has the molecular formula C21H25N5O4S and a molecular weight of 443.53 g/mol. Its IUPAC name is 4-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-2-[3-(4-methoxyphenyl)pyrazin-2-yl]morpholine.

Molecular Properties

Compound Name4-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-2-[3-(4-methoxyphenyl)pyrazin-2-yl]morpholine
PubChem CID127251185
Molecular FormulaC21H25N5O4S
Molecular Weight443.53 g/mol
Exact Mass443.16
IUPAC Name4-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-2-[3-(4-methoxyphenyl)pyrazin-2-yl]morpholine
SMILESCCn1cc(S(=O)(=O)N2CCOC(c3nccnc3-c3ccc(OC)cc3)C2)c(C)n1
InChIInChI=1S/C21H25N5O4S/c1-4-25-14-19(15(2)24-25)31(27,28)26-11-12-30-18(13-26)21-20(22-9-10-23-21)16-5-7-17(29-3)8-6-16/h5-10,14,18H,4,11-13H2,1-3H3
InChIKeyBYYREALWPOXRHH-UHFFFAOYSA-N
XLogP2.44
TPSA99.44 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.53
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3-[4-(4-methoxyphenyl)sulfonylmorpholin-2-yl]pyrazin-2-amine
CID 110112775
3-[(2S)-4-(1,3-dimethylpyrazol-4-yl)sulfonylmorpholin-2-yl]pyrazin-2-amine
CID 125013873
3-[(2R)-4-(1,3-dimethylpyrazol-4-yl)sulfonylmorpholin-2-yl]-N-methylpyrazin-2-amine
CID 125005024
2-(4-methoxyphenyl)-4-(2-methylphenyl)sulfonylmorpholine
CID 110327287
2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[(2R)-2-[3-(4-methoxyphenyl)pyrazin-2-yl]morpholin-4-yl]ethanone
CID 129360702
4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-2-(4-methoxyphenyl)morpholine
CID 110327282
1-ethyl-N-(4-methoxyphenyl)-3-methylpyrazole-4-sulfonamide
CID 22774028
4-(4-ethylphenyl)sulfonyl-2-(4-methoxyphenyl)morpholine
CID 110327245
1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazine
CID 17022514
2-[2-(2-methoxyethyl)tetrazol-5-yl]-4-(4-methoxyphenyl)sulfonylmorpholine
CID 155507407
N-ethyl-2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-methylmorpholine-4-sulfonamide
CID 75474717
4-(2,5-dimethoxyphenyl)sulfonyl-2-(4-ethylphenyl)morpholine
CID 110364059

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-2-[3-(4-methoxyphenyl)pyrazin-2-yl]morpholine?
The IUPAC name of 4-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-2-[3-(4-methoxyphenyl)pyrazin-2-yl]morpholine (CID 127251185) is 4-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-2-[3-(4-methoxyphenyl)pyrazin-2-yl]morpholine.
What is the SMILES notation for 4-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-2-[3-(4-methoxyphenyl)pyrazin-2-yl]morpholine?
The canonical SMILES for 4-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-2-[3-(4-methoxyphenyl)pyrazin-2-yl]morpholine is CCn1cc(S(=O)(=O)N2CCOC(c3nccnc3-c3ccc(OC)cc3)C2)c(C)n1.
What is the InChIKey of 4-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-2-[3-(4-methoxyphenyl)pyrazin-2-yl]morpholine?
The InChIKey is BYYREALWPOXRHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O4S/c1-4-25-14-19(15(2)24-25)31(27,28)26-11-12-30-18(13-26)21-20(22-9-10-23-21)16-5-7-17(29-3)8-6-16/h5-10,14,18H,4,11-13H2,1-3H3.
What are the key properties of 4-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-2-[3-(4-methoxyphenyl)pyrazin-2-yl]morpholine?
4-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-2-[3-(4-methoxyphenyl)pyrazin-2-yl]morpholine has a molecular weight of 443.53 g/mol, XLogP of 2.44, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-2-[3-(4-methoxyphenyl)pyrazin-2-yl]morpholine is sourced from PubChem (CID 127251185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).