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

C16H16F4N4OS — CID 169169592

IUPACN-[5-(3,3-difluorocyclobutyl)-4-methyl-2-(1,3-thiazol-2-yl)pyrazol-3-yl]-2-(2,2-difluorocyclopropyl)acetamide
SMILESCc1c(C2CC(F)(F)C2)nn(-c2nccs2)c1NC(=O)CC1CC1(F)F
InChIInChI=1S/C16H16F4N4OS/c1-8-12(9-5-15(17,18)6-9)23-24(14-21-2-3-26-14)13(8)22-11(25)4-10-7-16(10,19)20/h2-3,9-10H,4-7H2,1H3,(H,22,25)
InChIKeyGFTVTRNQERDJJE-UHFFFAOYSA-N
MW388.39 g/mol
LogP4.13
Rot. Bonds5

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

N-[5-(3,3-difluorocyclobutyl)-4-methyl-2-(1,3-thiazol-2-yl)pyrazol-3-yl]-2-(2,2-difluorocyclopropyl)acetamide (PubChem CID 169169592) has the molecular formula C16H16F4N4OS and a molecular weight of 388.39 g/mol. Its IUPAC name is N-[5-(3,3-difluorocyclobutyl)-4-methyl-2-(1,3-thiazol-2-yl)pyrazol-3-yl]-2-(2,2-difluorocyclopropyl)acetamide.

Molecular Properties

Compound NameN-[5-(3,3-difluorocyclobutyl)-4-methyl-2-(1,3-thiazol-2-yl)pyrazol-3-yl]-2-(2,2-difluorocyclopropyl)acetamide
PubChem CID169169592
Molecular FormulaC16H16F4N4OS
Molecular Weight388.39 g/mol
Exact Mass388.10
IUPAC NameN-[5-(3,3-difluorocyclobutyl)-4-methyl-2-(1,3-thiazol-2-yl)pyrazol-3-yl]-2-(2,2-difluorocyclopropyl)acetamide
SMILESCc1c(C2CC(F)(F)C2)nn(-c2nccs2)c1NC(=O)CC1CC1(F)F
InChIInChI=1S/C16H16F4N4OS/c1-8-12(9-5-15(17,18)6-9)23-24(14-21-2-3-26-14)13(8)22-11(25)4-10-7-16(10,19)20/h2-3,9-10H,4-7H2,1H3,(H,22,25)
InChIKeyGFTVTRNQERDJJE-UHFFFAOYSA-N
XLogP4.13
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.39
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(3,3-difluorocyclobutyl)-4-methyl-2-(1,3-thiazol-2-yl)pyrazol-3-yl]-2-(2,2-difluorocyclopropyl)acetamide?
The IUPAC name of N-[5-(3,3-difluorocyclobutyl)-4-methyl-2-(1,3-thiazol-2-yl)pyrazol-3-yl]-2-(2,2-difluorocyclopropyl)acetamide (CID 169169592) is N-[5-(3,3-difluorocyclobutyl)-4-methyl-2-(1,3-thiazol-2-yl)pyrazol-3-yl]-2-(2,2-difluorocyclopropyl)acetamide.
What is the SMILES notation for N-[5-(3,3-difluorocyclobutyl)-4-methyl-2-(1,3-thiazol-2-yl)pyrazol-3-yl]-2-(2,2-difluorocyclopropyl)acetamide?
The canonical SMILES for N-[5-(3,3-difluorocyclobutyl)-4-methyl-2-(1,3-thiazol-2-yl)pyrazol-3-yl]-2-(2,2-difluorocyclopropyl)acetamide is Cc1c(C2CC(F)(F)C2)nn(-c2nccs2)c1NC(=O)CC1CC1(F)F.
What is the InChIKey of N-[5-(3,3-difluorocyclobutyl)-4-methyl-2-(1,3-thiazol-2-yl)pyrazol-3-yl]-2-(2,2-difluorocyclopropyl)acetamide?
The InChIKey is GFTVTRNQERDJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F4N4OS/c1-8-12(9-5-15(17,18)6-9)23-24(14-21-2-3-26-14)13(8)22-11(25)4-10-7-16(10,19)20/h2-3,9-10H,4-7H2,1H3,(H,22,25).
What are the key properties of N-[5-(3,3-difluorocyclobutyl)-4-methyl-2-(1,3-thiazol-2-yl)pyrazol-3-yl]-2-(2,2-difluorocyclopropyl)acetamide?
N-[5-(3,3-difluorocyclobutyl)-4-methyl-2-(1,3-thiazol-2-yl)pyrazol-3-yl]-2-(2,2-difluorocyclopropyl)acetamide has a molecular weight of 388.39 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,3-difluorocyclobutyl)-4-methyl-2-(1,3-thiazol-2-yl)pyrazol-3-yl]-2-(2,2-difluorocyclopropyl)acetamide is sourced from PubChem (CID 169169592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).