2-(3,3-difluorocyclobutyl)-N-[5-(3,3-difluorocyclobutyl)-4-methyl-2-(1,3-thiazol-2-yl)pyrazol-3-yl]acetamide

C17H18F4N4OS — CID 169169282

IUPAC2-(3,3-difluorocyclobutyl)-N-[5-(3,3-difluorocyclobutyl)-4-methyl-2-(1,3-thiazol-2-yl)pyrazol-3-yl]acetamide
SMILESCc1c(C2CC(F)(F)C2)nn(-c2nccs2)c1NC(=O)CC1CC(F)(F)C1
InChIInChI=1S/C17H18F4N4OS/c1-9-13(11-7-17(20,21)8-11)24-25(15-22-2-3-27-15)14(9)23-12(26)4-10-5-16(18,19)6-10/h2-3,10-11H,4-8H2,1H3,(H,23,26)
InChIKeyPWSHXJHJOSSNHH-UHFFFAOYSA-N
MW402.42 g/mol
LogP4.52
Rot. Bonds5

About 2-(3,3-difluorocyclobutyl)-N-[5-(3,3-difluorocyclobutyl)-4-methyl-2-(1,3-thiazol-2-yl)pyrazol-3-yl]acetamide

2-(3,3-difluorocyclobutyl)-N-[5-(3,3-difluorocyclobutyl)-4-methyl-2-(1,3-thiazol-2-yl)pyrazol-3-yl]acetamide (PubChem CID 169169282) has the molecular formula C17H18F4N4OS and a molecular weight of 402.42 g/mol. Its IUPAC name is 2-(3,3-difluorocyclobutyl)-N-[5-(3,3-difluorocyclobutyl)-4-methyl-2-(1,3-thiazol-2-yl)pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(3,3-difluorocyclobutyl)-N-[5-(3,3-difluorocyclobutyl)-4-methyl-2-(1,3-thiazol-2-yl)pyrazol-3-yl]acetamide
PubChem CID169169282
Molecular FormulaC17H18F4N4OS
Molecular Weight402.42 g/mol
Exact Mass402.11
IUPAC Name2-(3,3-difluorocyclobutyl)-N-[5-(3,3-difluorocyclobutyl)-4-methyl-2-(1,3-thiazol-2-yl)pyrazol-3-yl]acetamide
SMILESCc1c(C2CC(F)(F)C2)nn(-c2nccs2)c1NC(=O)CC1CC(F)(F)C1
InChIInChI=1S/C17H18F4N4OS/c1-9-13(11-7-17(20,21)8-11)24-25(15-22-2-3-27-15)14(9)23-12(26)4-10-5-16(18,19)6-10/h2-3,10-11H,4-8H2,1H3,(H,23,26)
InChIKeyPWSHXJHJOSSNHH-UHFFFAOYSA-N
XLogP4.52
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.42
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluorocyclobutyl)-N-[5-(3,3-difluorocyclobutyl)-4-methyl-2-(1,3-thiazol-2-yl)pyrazol-3-yl]acetamide?
The IUPAC name of 2-(3,3-difluorocyclobutyl)-N-[5-(3,3-difluorocyclobutyl)-4-methyl-2-(1,3-thiazol-2-yl)pyrazol-3-yl]acetamide (CID 169169282) is 2-(3,3-difluorocyclobutyl)-N-[5-(3,3-difluorocyclobutyl)-4-methyl-2-(1,3-thiazol-2-yl)pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-(3,3-difluorocyclobutyl)-N-[5-(3,3-difluorocyclobutyl)-4-methyl-2-(1,3-thiazol-2-yl)pyrazol-3-yl]acetamide?
The canonical SMILES for 2-(3,3-difluorocyclobutyl)-N-[5-(3,3-difluorocyclobutyl)-4-methyl-2-(1,3-thiazol-2-yl)pyrazol-3-yl]acetamide is Cc1c(C2CC(F)(F)C2)nn(-c2nccs2)c1NC(=O)CC1CC(F)(F)C1.
What is the InChIKey of 2-(3,3-difluorocyclobutyl)-N-[5-(3,3-difluorocyclobutyl)-4-methyl-2-(1,3-thiazol-2-yl)pyrazol-3-yl]acetamide?
The InChIKey is PWSHXJHJOSSNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F4N4OS/c1-9-13(11-7-17(20,21)8-11)24-25(15-22-2-3-27-15)14(9)23-12(26)4-10-5-16(18,19)6-10/h2-3,10-11H,4-8H2,1H3,(H,23,26).
What are the key properties of 2-(3,3-difluorocyclobutyl)-N-[5-(3,3-difluorocyclobutyl)-4-methyl-2-(1,3-thiazol-2-yl)pyrazol-3-yl]acetamide?
2-(3,3-difluorocyclobutyl)-N-[5-(3,3-difluorocyclobutyl)-4-methyl-2-(1,3-thiazol-2-yl)pyrazol-3-yl]acetamide has a molecular weight of 402.42 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluorocyclobutyl)-N-[5-(3,3-difluorocyclobutyl)-4-methyl-2-(1,3-thiazol-2-yl)pyrazol-3-yl]acetamide is sourced from PubChem (CID 169169282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).