3,5-dicyclopropyl-4-(3,4-difluorophenoxy)-1-(methylsulfonylmethyl)pyrazole

C17H18F2N2O3S — CID 16662350

IUPAC3,5-dicyclopropyl-4-(3,4-difluorophenoxy)-1-(methylsulfonylmethyl)pyrazole
SMILESCS(=O)(=O)Cn1nc(C2CC2)c(Oc2ccc(F)c(F)c2)c1C1CC1
InChIInChI=1S/C17H18F2N2O3S/c1-25(22,23)9-21-16(11-4-5-11)17(15(20-21)10-2-3-10)24-12-6-7-13(18)14(19)8-12/h6-8,10-11H,2-5,9H2,1H3
InChIKeyPWDMYKAJACLTJT-UHFFFAOYSA-N
MW368.41 g/mol
LogP3.71
Rot. Bonds6

About 3,5-dicyclopropyl-4-(3,4-difluorophenoxy)-1-(methylsulfonylmethyl)pyrazole

3,5-dicyclopropyl-4-(3,4-difluorophenoxy)-1-(methylsulfonylmethyl)pyrazole (PubChem CID 16662350) has the molecular formula C17H18F2N2O3S and a molecular weight of 368.41 g/mol. Its IUPAC name is 3,5-dicyclopropyl-4-(3,4-difluorophenoxy)-1-(methylsulfonylmethyl)pyrazole.

Molecular Properties

Compound Name3,5-dicyclopropyl-4-(3,4-difluorophenoxy)-1-(methylsulfonylmethyl)pyrazole
PubChem CID16662350
Molecular FormulaC17H18F2N2O3S
Molecular Weight368.41 g/mol
Exact Mass368.10
IUPAC Name3,5-dicyclopropyl-4-(3,4-difluorophenoxy)-1-(methylsulfonylmethyl)pyrazole
SMILESCS(=O)(=O)Cn1nc(C2CC2)c(Oc2ccc(F)c(F)c2)c1C1CC1
InChIInChI=1S/C17H18F2N2O3S/c1-25(22,23)9-21-16(11-4-5-11)17(15(20-21)10-2-3-10)24-12-6-7-13(18)14(19)8-12/h6-8,10-11H,2-5,9H2,1H3
InChIKeyPWDMYKAJACLTJT-UHFFFAOYSA-N
XLogP3.71
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-dicyclopropyl-4-(3,4-difluorophenoxy)-1-(methylsulfonylmethyl)pyrazole?
The IUPAC name of 3,5-dicyclopropyl-4-(3,4-difluorophenoxy)-1-(methylsulfonylmethyl)pyrazole (CID 16662350) is 3,5-dicyclopropyl-4-(3,4-difluorophenoxy)-1-(methylsulfonylmethyl)pyrazole.
What is the SMILES notation for 3,5-dicyclopropyl-4-(3,4-difluorophenoxy)-1-(methylsulfonylmethyl)pyrazole?
The canonical SMILES for 3,5-dicyclopropyl-4-(3,4-difluorophenoxy)-1-(methylsulfonylmethyl)pyrazole is CS(=O)(=O)Cn1nc(C2CC2)c(Oc2ccc(F)c(F)c2)c1C1CC1.
What is the InChIKey of 3,5-dicyclopropyl-4-(3,4-difluorophenoxy)-1-(methylsulfonylmethyl)pyrazole?
The InChIKey is PWDMYKAJACLTJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O3S/c1-25(22,23)9-21-16(11-4-5-11)17(15(20-21)10-2-3-10)24-12-6-7-13(18)14(19)8-12/h6-8,10-11H,2-5,9H2,1H3.
What are the key properties of 3,5-dicyclopropyl-4-(3,4-difluorophenoxy)-1-(methylsulfonylmethyl)pyrazole?
3,5-dicyclopropyl-4-(3,4-difluorophenoxy)-1-(methylsulfonylmethyl)pyrazole has a molecular weight of 368.41 g/mol, XLogP of 3.71, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dicyclopropyl-4-(3,4-difluorophenoxy)-1-(methylsulfonylmethyl)pyrazole is sourced from PubChem (CID 16662350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).