1-ethyl-4-[3-[2-(2-methoxyphenoxy)ethyl]pyrrolidin-1-yl]sulfonylpyrazole

C18H25N3O4S — CID 91919967

IUPAC1-ethyl-4-[3-[2-(2-methoxyphenoxy)ethyl]pyrrolidin-1-yl]sulfonylpyrazole
SMILESCCn1cc(S(=O)(=O)N2CCC(CCOc3ccccc3OC)C2)cn1
InChIInChI=1S/C18H25N3O4S/c1-3-20-14-16(12-19-20)26(22,23)21-10-8-15(13-21)9-11-25-18-7-5-4-6-17(18)24-2/h4-7,12,14-15H,3,8-11,13H2,1-2H3
InChIKeySPZIGOFIRKXTRI-UHFFFAOYSA-N
MW379.48 g/mol
LogP2.39
Rot. Bonds8

About 1-ethyl-4-[3-[2-(2-methoxyphenoxy)ethyl]pyrrolidin-1-yl]sulfonylpyrazole

1-ethyl-4-[3-[2-(2-methoxyphenoxy)ethyl]pyrrolidin-1-yl]sulfonylpyrazole (PubChem CID 91919967) has the molecular formula C18H25N3O4S and a molecular weight of 379.48 g/mol. Its IUPAC name is 1-ethyl-4-[3-[2-(2-methoxyphenoxy)ethyl]pyrrolidin-1-yl]sulfonylpyrazole.

Molecular Properties

Compound Name1-ethyl-4-[3-[2-(2-methoxyphenoxy)ethyl]pyrrolidin-1-yl]sulfonylpyrazole
PubChem CID91919967
Molecular FormulaC18H25N3O4S
Molecular Weight379.48 g/mol
Exact Mass379.16
IUPAC Name1-ethyl-4-[3-[2-(2-methoxyphenoxy)ethyl]pyrrolidin-1-yl]sulfonylpyrazole
SMILESCCn1cc(S(=O)(=O)N2CCC(CCOc3ccccc3OC)C2)cn1
InChIInChI=1S/C18H25N3O4S/c1-3-20-14-16(12-19-20)26(22,23)21-10-8-15(13-21)9-11-25-18-7-5-4-6-17(18)24-2/h4-7,12,14-15H,3,8-11,13H2,1-2H3
InChIKeySPZIGOFIRKXTRI-UHFFFAOYSA-N
XLogP2.39
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-1-(cyclopropylmethyl)-4-(1-ethylpyrazol-4-yl)sulfonyl-2-propan-2-yl-1,4-diazepane
CID 95556038
methyl 4-[2-[1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]ethyl]benzoate
CID 46967029
1-(2-chloroethyl)-4-(3-ethylpyrrolidin-1-yl)sulfonylpyrazole
CID 113419392
1-[1-[1-(2-methoxyphenyl)pyrazol-4-yl]sulfonylpiperidin-4-yl]-N-methylmethanamine
CID 119978577
2-[(3S)-1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-5-methyl-1-propylimidazole
CID 164637005
1-[1-(2-methoxyphenyl)pyrazol-4-yl]sulfonylpiperidin-4-amine;hydrochloride
CID 119959400
1-(1-ethylpyrazol-4-yl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperazine
CID 17060302
3-[(3S)-1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-5-(phenylmethoxymethyl)-1,2,4-oxadiazole
CID 164640560
2-[(3S)-1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-3-propylimidazo[4,5-b]pyridine
CID 95110380
N-(cyclopropylmethyl)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]sulfonylpiperidin-4-amine;hydrochloride
CID 119987935
2-[(3R)-1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-3-yl]-5-isoquinolin-1-yl-1,3,4-oxadiazole
CID 92590167
[(3R,4R)-1-(1-ethylpyrazol-4-yl)sulfonyl-4-phenylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120766131

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[3-[2-(2-methoxyphenoxy)ethyl]pyrrolidin-1-yl]sulfonylpyrazole?
The IUPAC name of 1-ethyl-4-[3-[2-(2-methoxyphenoxy)ethyl]pyrrolidin-1-yl]sulfonylpyrazole (CID 91919967) is 1-ethyl-4-[3-[2-(2-methoxyphenoxy)ethyl]pyrrolidin-1-yl]sulfonylpyrazole.
What is the SMILES notation for 1-ethyl-4-[3-[2-(2-methoxyphenoxy)ethyl]pyrrolidin-1-yl]sulfonylpyrazole?
The canonical SMILES for 1-ethyl-4-[3-[2-(2-methoxyphenoxy)ethyl]pyrrolidin-1-yl]sulfonylpyrazole is CCn1cc(S(=O)(=O)N2CCC(CCOc3ccccc3OC)C2)cn1.
What is the InChIKey of 1-ethyl-4-[3-[2-(2-methoxyphenoxy)ethyl]pyrrolidin-1-yl]sulfonylpyrazole?
The InChIKey is SPZIGOFIRKXTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4S/c1-3-20-14-16(12-19-20)26(22,23)21-10-8-15(13-21)9-11-25-18-7-5-4-6-17(18)24-2/h4-7,12,14-15H,3,8-11,13H2,1-2H3.
What are the key properties of 1-ethyl-4-[3-[2-(2-methoxyphenoxy)ethyl]pyrrolidin-1-yl]sulfonylpyrazole?
1-ethyl-4-[3-[2-(2-methoxyphenoxy)ethyl]pyrrolidin-1-yl]sulfonylpyrazole has a molecular weight of 379.48 g/mol, XLogP of 2.39, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[3-[2-(2-methoxyphenoxy)ethyl]pyrrolidin-1-yl]sulfonylpyrazole is sourced from PubChem (CID 91919967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).