2-(3,3-difluorocyclobutyl)-N-[5-(3,3-difluorocyclobutyl)-2,4-dimethylpyrazol-3-yl]acetamide

C15H19F4N3O — CID 170136807

IUPAC2-(3,3-difluorocyclobutyl)-N-[5-(3,3-difluorocyclobutyl)-2,4-dimethylpyrazol-3-yl]acetamide
SMILESCc1c(C2CC(F)(F)C2)nn(C)c1NC(=O)CC1CC(F)(F)C1
InChIInChI=1S/C15H19F4N3O/c1-8-12(10-6-15(18,19)7-10)21-22(2)13(8)20-11(23)3-9-4-14(16,17)5-9/h9-10H,3-7H2,1-2H3,(H,20,23)
InChIKeyWBDZRWYZWHEJLP-UHFFFAOYSA-N
MW333.33 g/mol
LogP3.62
Rot. Bonds4

About 2-(3,3-difluorocyclobutyl)-N-[5-(3,3-difluorocyclobutyl)-2,4-dimethylpyrazol-3-yl]acetamide

2-(3,3-difluorocyclobutyl)-N-[5-(3,3-difluorocyclobutyl)-2,4-dimethylpyrazol-3-yl]acetamide (PubChem CID 170136807) has the molecular formula C15H19F4N3O and a molecular weight of 333.33 g/mol. Its IUPAC name is 2-(3,3-difluorocyclobutyl)-N-[5-(3,3-difluorocyclobutyl)-2,4-dimethylpyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(3,3-difluorocyclobutyl)-N-[5-(3,3-difluorocyclobutyl)-2,4-dimethylpyrazol-3-yl]acetamide
PubChem CID170136807
Molecular FormulaC15H19F4N3O
Molecular Weight333.33 g/mol
Exact Mass333.15
IUPAC Name2-(3,3-difluorocyclobutyl)-N-[5-(3,3-difluorocyclobutyl)-2,4-dimethylpyrazol-3-yl]acetamide
SMILESCc1c(C2CC(F)(F)C2)nn(C)c1NC(=O)CC1CC(F)(F)C1
InChIInChI=1S/C15H19F4N3O/c1-8-12(10-6-15(18,19)7-10)21-22(2)13(8)20-11(23)3-9-4-14(16,17)5-9/h9-10H,3-7H2,1-2H3,(H,20,23)
InChIKeyWBDZRWYZWHEJLP-UHFFFAOYSA-N
XLogP3.62
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.33
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluorocyclobutyl)-N-[5-(3,3-difluorocyclobutyl)-2,4-dimethylpyrazol-3-yl]acetamide?
The IUPAC name of 2-(3,3-difluorocyclobutyl)-N-[5-(3,3-difluorocyclobutyl)-2,4-dimethylpyrazol-3-yl]acetamide (CID 170136807) is 2-(3,3-difluorocyclobutyl)-N-[5-(3,3-difluorocyclobutyl)-2,4-dimethylpyrazol-3-yl]acetamide.
What is the SMILES notation for 2-(3,3-difluorocyclobutyl)-N-[5-(3,3-difluorocyclobutyl)-2,4-dimethylpyrazol-3-yl]acetamide?
The canonical SMILES for 2-(3,3-difluorocyclobutyl)-N-[5-(3,3-difluorocyclobutyl)-2,4-dimethylpyrazol-3-yl]acetamide is Cc1c(C2CC(F)(F)C2)nn(C)c1NC(=O)CC1CC(F)(F)C1.
What is the InChIKey of 2-(3,3-difluorocyclobutyl)-N-[5-(3,3-difluorocyclobutyl)-2,4-dimethylpyrazol-3-yl]acetamide?
The InChIKey is WBDZRWYZWHEJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F4N3O/c1-8-12(10-6-15(18,19)7-10)21-22(2)13(8)20-11(23)3-9-4-14(16,17)5-9/h9-10H,3-7H2,1-2H3,(H,20,23).
What are the key properties of 2-(3,3-difluorocyclobutyl)-N-[5-(3,3-difluorocyclobutyl)-2,4-dimethylpyrazol-3-yl]acetamide?
2-(3,3-difluorocyclobutyl)-N-[5-(3,3-difluorocyclobutyl)-2,4-dimethylpyrazol-3-yl]acetamide has a molecular weight of 333.33 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluorocyclobutyl)-N-[5-(3,3-difluorocyclobutyl)-2,4-dimethylpyrazol-3-yl]acetamide is sourced from PubChem (CID 170136807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).