4-cyclopropyl-3-[2-[1-(4-ethylphenyl)sulfonylpyrrolidin-2-yl]ethyl]-1,2,4-triazole

C19H26N4O2S — CID 155882088

IUPAC4-cyclopropyl-3-[2-[1-(4-ethylphenyl)sulfonylpyrrolidin-2-yl]ethyl]-1,2,4-triazole
SMILESCCc1ccc(S(=O)(=O)N2CCCC2CCc2nncn2C2CC2)cc1
InChIInChI=1S/C19H26N4O2S/c1-2-15-5-10-18(11-6-15)26(24,25)23-13-3-4-17(23)9-12-19-21-20-14-22(19)16-7-8-16/h5-6,10-11,14,16-17H,2-4,7-9,12-13H2,1H3
InChIKeyJBVZGZSWNMQACJ-UHFFFAOYSA-N
MW374.51 g/mol
LogP2.96
Rot. Bonds7

About 4-cyclopropyl-3-[2-[1-(4-ethylphenyl)sulfonylpyrrolidin-2-yl]ethyl]-1,2,4-triazole

4-cyclopropyl-3-[2-[1-(4-ethylphenyl)sulfonylpyrrolidin-2-yl]ethyl]-1,2,4-triazole (PubChem CID 155882088) has the molecular formula C19H26N4O2S and a molecular weight of 374.51 g/mol. Its IUPAC name is 4-cyclopropyl-3-[2-[1-(4-ethylphenyl)sulfonylpyrrolidin-2-yl]ethyl]-1,2,4-triazole.

Molecular Properties

Compound Name4-cyclopropyl-3-[2-[1-(4-ethylphenyl)sulfonylpyrrolidin-2-yl]ethyl]-1,2,4-triazole
PubChem CID155882088
Molecular FormulaC19H26N4O2S
Molecular Weight374.51 g/mol
Exact Mass374.18
IUPAC Name4-cyclopropyl-3-[2-[1-(4-ethylphenyl)sulfonylpyrrolidin-2-yl]ethyl]-1,2,4-triazole
SMILESCCc1ccc(S(=O)(=O)N2CCCC2CCc2nncn2C2CC2)cc1
InChIInChI=1S/C19H26N4O2S/c1-2-15-5-10-18(11-6-15)26(24,25)23-13-3-4-17(23)9-12-19-21-20-14-22(19)16-7-8-16/h5-6,10-11,14,16-17H,2-4,7-9,12-13H2,1H3
InChIKeyJBVZGZSWNMQACJ-UHFFFAOYSA-N
XLogP2.96
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-cyclopropyl-3-[2-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidin-2-yl]ethyl]-1,2,4-triazole
CID 155882083
3-[2-[1-(benzenesulfonyl)pyrrolidin-2-yl]ethyl]-4-(cyclopropylmethyl)-1,2,4-triazole
CID 155882090
3-[2-[1-(3,5-difluorophenyl)sulfonylpyrrolidin-2-yl]ethyl]-4-methyl-1,2,4-triazole
CID 155882025
1-(4-chlorophenyl)sulfonyl-4-(3-ethyl-1,2,4-triazol-4-yl)piperidine
CID 91914700
[(2S)-1-[4-(bromomethyl)phenyl]sulfonylpyrrolidin-2-yl]methanol
CID 107858899
[4-(2-propylpiperidin-1-yl)sulfonylphenyl]methanol
CID 83057310
2-[1-(4-propylphenyl)sulfonylpyrrolidin-2-yl]acetic acid
CID 61370104
2-ethyl-1-(4-methoxyphenyl)sulfonylpyrrolidine
CID 110429014
(2R)-2-butyl-1-(4-methylphenyl)sulfonylpyrrolidine
CID 101030218
N-[[4-(2-ethylpyrrolidin-1-yl)sulfonylphenyl]methyl]ethanamine
CID 60974926
methyl 1-(4-ethylphenyl)sulfonylpyrrolidine-2-carboxylate
CID 617150
1-(4-fluorophenyl)sulfonyl-2-[2-(4-methylphenyl)ethyl]piperidine
CID 142470254

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-3-[2-[1-(4-ethylphenyl)sulfonylpyrrolidin-2-yl]ethyl]-1,2,4-triazole?
The IUPAC name of 4-cyclopropyl-3-[2-[1-(4-ethylphenyl)sulfonylpyrrolidin-2-yl]ethyl]-1,2,4-triazole (CID 155882088) is 4-cyclopropyl-3-[2-[1-(4-ethylphenyl)sulfonylpyrrolidin-2-yl]ethyl]-1,2,4-triazole.
What is the SMILES notation for 4-cyclopropyl-3-[2-[1-(4-ethylphenyl)sulfonylpyrrolidin-2-yl]ethyl]-1,2,4-triazole?
The canonical SMILES for 4-cyclopropyl-3-[2-[1-(4-ethylphenyl)sulfonylpyrrolidin-2-yl]ethyl]-1,2,4-triazole is CCc1ccc(S(=O)(=O)N2CCCC2CCc2nncn2C2CC2)cc1.
What is the InChIKey of 4-cyclopropyl-3-[2-[1-(4-ethylphenyl)sulfonylpyrrolidin-2-yl]ethyl]-1,2,4-triazole?
The InChIKey is JBVZGZSWNMQACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2S/c1-2-15-5-10-18(11-6-15)26(24,25)23-13-3-4-17(23)9-12-19-21-20-14-22(19)16-7-8-16/h5-6,10-11,14,16-17H,2-4,7-9,12-13H2,1H3.
What are the key properties of 4-cyclopropyl-3-[2-[1-(4-ethylphenyl)sulfonylpyrrolidin-2-yl]ethyl]-1,2,4-triazole?
4-cyclopropyl-3-[2-[1-(4-ethylphenyl)sulfonylpyrrolidin-2-yl]ethyl]-1,2,4-triazole has a molecular weight of 374.51 g/mol, XLogP of 2.96, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-3-[2-[1-(4-ethylphenyl)sulfonylpyrrolidin-2-yl]ethyl]-1,2,4-triazole is sourced from PubChem (CID 155882088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).