N-[1-[3-[1-ethyl-5-[4-(trifluoromethyl)phenoxy]pyrazol-3-yl]phenyl]cyclobutyl]ethanesulfonamide

C24H26F3N3O3S — CID 71274732

IUPACN-[1-[3-[1-ethyl-5-[4-(trifluoromethyl)phenoxy]pyrazol-3-yl]phenyl]cyclobutyl]ethanesulfonamide
SMILESCCn1nc(-c2cccc(C3(NS(=O)(=O)CC)CCC3)c2)cc1Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C24H26F3N3O3S/c1-3-30-22(33-20-11-9-18(10-12-20)24(25,26)27)16-21(28-30)17-7-5-8-19(15-17)23(13-6-14-23)29-34(31,32)4-2/h5,7-12,15-16,29H,3-4,6,13-14H2,1-2H3
InChIKeyKZRPZABRTPKUTP-UHFFFAOYSA-N
MW493.55 g/mol
LogP5.70
Rot. Bonds8

About N-[1-[3-[1-ethyl-5-[4-(trifluoromethyl)phenoxy]pyrazol-3-yl]phenyl]cyclobutyl]ethanesulfonamide

N-[1-[3-[1-ethyl-5-[4-(trifluoromethyl)phenoxy]pyrazol-3-yl]phenyl]cyclobutyl]ethanesulfonamide (PubChem CID 71274732) has the molecular formula C24H26F3N3O3S and a molecular weight of 493.55 g/mol. Its IUPAC name is N-[1-[3-[1-ethyl-5-[4-(trifluoromethyl)phenoxy]pyrazol-3-yl]phenyl]cyclobutyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[1-[3-[1-ethyl-5-[4-(trifluoromethyl)phenoxy]pyrazol-3-yl]phenyl]cyclobutyl]ethanesulfonamide
PubChem CID71274732
Molecular FormulaC24H26F3N3O3S
Molecular Weight493.55 g/mol
Exact Mass493.16
IUPAC NameN-[1-[3-[1-ethyl-5-[4-(trifluoromethyl)phenoxy]pyrazol-3-yl]phenyl]cyclobutyl]ethanesulfonamide
SMILESCCn1nc(-c2cccc(C3(NS(=O)(=O)CC)CCC3)c2)cc1Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C24H26F3N3O3S/c1-3-30-22(33-20-11-9-18(10-12-20)24(25,26)27)16-21(28-30)17-7-5-8-19(15-17)23(13-6-14-23)29-34(31,32)4-2/h5,7-12,15-16,29H,3-4,6,13-14H2,1-2H3
InChIKeyKZRPZABRTPKUTP-UHFFFAOYSA-N
XLogP5.70
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.55
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[3-[1-ethyl-5-[4-(trifluoromethyl)phenoxy]pyrazol-3-yl]phenyl]cyclobutyl]ethanesulfonamide?
The IUPAC name of N-[1-[3-[1-ethyl-5-[4-(trifluoromethyl)phenoxy]pyrazol-3-yl]phenyl]cyclobutyl]ethanesulfonamide (CID 71274732) is N-[1-[3-[1-ethyl-5-[4-(trifluoromethyl)phenoxy]pyrazol-3-yl]phenyl]cyclobutyl]ethanesulfonamide.
What is the SMILES notation for N-[1-[3-[1-ethyl-5-[4-(trifluoromethyl)phenoxy]pyrazol-3-yl]phenyl]cyclobutyl]ethanesulfonamide?
The canonical SMILES for N-[1-[3-[1-ethyl-5-[4-(trifluoromethyl)phenoxy]pyrazol-3-yl]phenyl]cyclobutyl]ethanesulfonamide is CCn1nc(-c2cccc(C3(NS(=O)(=O)CC)CCC3)c2)cc1Oc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[1-[3-[1-ethyl-5-[4-(trifluoromethyl)phenoxy]pyrazol-3-yl]phenyl]cyclobutyl]ethanesulfonamide?
The InChIKey is KZRPZABRTPKUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N3O3S/c1-3-30-22(33-20-11-9-18(10-12-20)24(25,26)27)16-21(28-30)17-7-5-8-19(15-17)23(13-6-14-23)29-34(31,32)4-2/h5,7-12,15-16,29H,3-4,6,13-14H2,1-2H3.
What are the key properties of N-[1-[3-[1-ethyl-5-[4-(trifluoromethyl)phenoxy]pyrazol-3-yl]phenyl]cyclobutyl]ethanesulfonamide?
N-[1-[3-[1-ethyl-5-[4-(trifluoromethyl)phenoxy]pyrazol-3-yl]phenyl]cyclobutyl]ethanesulfonamide has a molecular weight of 493.55 g/mol, XLogP of 5.70, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-[1-ethyl-5-[4-(trifluoromethyl)phenoxy]pyrazol-3-yl]phenyl]cyclobutyl]ethanesulfonamide is sourced from PubChem (CID 71274732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).