5-amino-4-cyclobutyl-N-(3,3-difluorocyclobutyl)-3-(4-fluorophenyl)pyrazole-1-carboxamide

C18H19F3N4O — CID 169169500

IUPAC5-amino-4-cyclobutyl-N-(3,3-difluorocyclobutyl)-3-(4-fluorophenyl)pyrazole-1-carboxamide
SMILESNc1c(C2CCC2)c(-c2ccc(F)cc2)nn1C(=O)NC1CC(F)(F)C1
InChIInChI=1S/C18H19F3N4O/c19-12-6-4-11(5-7-12)15-14(10-2-1-3-10)16(22)25(24-15)17(26)23-13-8-18(20,21)9-13/h4-7,10,13H,1-3,8-9,22H2,(H,23,26)
InChIKeyWSOYNVZPUJFEBO-UHFFFAOYSA-N
MW364.37 g/mol
LogP3.89
Rot. Bonds3

About 5-amino-4-cyclobutyl-N-(3,3-difluorocyclobutyl)-3-(4-fluorophenyl)pyrazole-1-carboxamide

5-amino-4-cyclobutyl-N-(3,3-difluorocyclobutyl)-3-(4-fluorophenyl)pyrazole-1-carboxamide (PubChem CID 169169500) has the molecular formula C18H19F3N4O and a molecular weight of 364.37 g/mol. Its IUPAC name is 5-amino-4-cyclobutyl-N-(3,3-difluorocyclobutyl)-3-(4-fluorophenyl)pyrazole-1-carboxamide.

Molecular Properties

Compound Name5-amino-4-cyclobutyl-N-(3,3-difluorocyclobutyl)-3-(4-fluorophenyl)pyrazole-1-carboxamide
PubChem CID169169500
Molecular FormulaC18H19F3N4O
Molecular Weight364.37 g/mol
Exact Mass364.15
IUPAC Name5-amino-4-cyclobutyl-N-(3,3-difluorocyclobutyl)-3-(4-fluorophenyl)pyrazole-1-carboxamide
SMILESNc1c(C2CCC2)c(-c2ccc(F)cc2)nn1C(=O)NC1CC(F)(F)C1
InChIInChI=1S/C18H19F3N4O/c19-12-6-4-11(5-7-12)15-14(10-2-1-3-10)16(22)25(24-15)17(26)23-13-8-18(20,21)9-13/h4-7,10,13H,1-3,8-9,22H2,(H,23,26)
InChIKeyWSOYNVZPUJFEBO-UHFFFAOYSA-N
XLogP3.89
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-cyclobutyl-N-(3,3-difluorocyclobutyl)-3-(4-fluorophenyl)pyrazole-1-carboxamide?
The IUPAC name of 5-amino-4-cyclobutyl-N-(3,3-difluorocyclobutyl)-3-(4-fluorophenyl)pyrazole-1-carboxamide (CID 169169500) is 5-amino-4-cyclobutyl-N-(3,3-difluorocyclobutyl)-3-(4-fluorophenyl)pyrazole-1-carboxamide.
What is the SMILES notation for 5-amino-4-cyclobutyl-N-(3,3-difluorocyclobutyl)-3-(4-fluorophenyl)pyrazole-1-carboxamide?
The canonical SMILES for 5-amino-4-cyclobutyl-N-(3,3-difluorocyclobutyl)-3-(4-fluorophenyl)pyrazole-1-carboxamide is Nc1c(C2CCC2)c(-c2ccc(F)cc2)nn1C(=O)NC1CC(F)(F)C1.
What is the InChIKey of 5-amino-4-cyclobutyl-N-(3,3-difluorocyclobutyl)-3-(4-fluorophenyl)pyrazole-1-carboxamide?
The InChIKey is WSOYNVZPUJFEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O/c19-12-6-4-11(5-7-12)15-14(10-2-1-3-10)16(22)25(24-15)17(26)23-13-8-18(20,21)9-13/h4-7,10,13H,1-3,8-9,22H2,(H,23,26).
What are the key properties of 5-amino-4-cyclobutyl-N-(3,3-difluorocyclobutyl)-3-(4-fluorophenyl)pyrazole-1-carboxamide?
5-amino-4-cyclobutyl-N-(3,3-difluorocyclobutyl)-3-(4-fluorophenyl)pyrazole-1-carboxamide has a molecular weight of 364.37 g/mol, XLogP of 3.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-cyclobutyl-N-(3,3-difluorocyclobutyl)-3-(4-fluorophenyl)pyrazole-1-carboxamide is sourced from PubChem (CID 169169500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).