2-cyclobutyl-N-[1-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]pyrazole-3-carboxamide

C15H17F2N5O2 — CID 146139946

IUPAC2-cyclobutyl-N-[1-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]pyrazole-3-carboxamide
SMILESO=C(NC1(c2noc(C(F)F)n2)CCC1)c1ccnn1C1CCC1
InChIInChI=1S/C15H17F2N5O2/c16-11(17)13-19-14(21-24-13)15(6-2-7-15)20-12(23)10-5-8-18-22(10)9-3-1-4-9/h5,8-9,11H,1-4,6-7H2,(H,20,23)
InChIKeyVBBQZKTVZUBYKM-UHFFFAOYSA-N
MW337.33 g/mol
LogP2.74
Rot. Bonds5

About 2-cyclobutyl-N-[1-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]pyrazole-3-carboxamide

2-cyclobutyl-N-[1-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]pyrazole-3-carboxamide (PubChem CID 146139946) has the molecular formula C15H17F2N5O2 and a molecular weight of 337.33 g/mol. Its IUPAC name is 2-cyclobutyl-N-[1-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-cyclobutyl-N-[1-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]pyrazole-3-carboxamide
PubChem CID146139946
Molecular FormulaC15H17F2N5O2
Molecular Weight337.33 g/mol
Exact Mass337.14
IUPAC Name2-cyclobutyl-N-[1-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]pyrazole-3-carboxamide
SMILESO=C(NC1(c2noc(C(F)F)n2)CCC1)c1ccnn1C1CCC1
InChIInChI=1S/C15H17F2N5O2/c16-11(17)13-19-14(21-24-13)15(6-2-7-15)20-12(23)10-5-8-18-22(10)9-3-1-4-9/h5,8-9,11H,1-4,6-7H2,(H,20,23)
InChIKeyVBBQZKTVZUBYKM-UHFFFAOYSA-N
XLogP2.74
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.33
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-N-[1-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]pyrazole-3-carboxamide?
The IUPAC name of 2-cyclobutyl-N-[1-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]pyrazole-3-carboxamide (CID 146139946) is 2-cyclobutyl-N-[1-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-cyclobutyl-N-[1-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]pyrazole-3-carboxamide?
The canonical SMILES for 2-cyclobutyl-N-[1-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]pyrazole-3-carboxamide is O=C(NC1(c2noc(C(F)F)n2)CCC1)c1ccnn1C1CCC1.
What is the InChIKey of 2-cyclobutyl-N-[1-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]pyrazole-3-carboxamide?
The InChIKey is VBBQZKTVZUBYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N5O2/c16-11(17)13-19-14(21-24-13)15(6-2-7-15)20-12(23)10-5-8-18-22(10)9-3-1-4-9/h5,8-9,11H,1-4,6-7H2,(H,20,23).
What are the key properties of 2-cyclobutyl-N-[1-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]pyrazole-3-carboxamide?
2-cyclobutyl-N-[1-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]pyrazole-3-carboxamide has a molecular weight of 337.33 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-N-[1-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]pyrazole-3-carboxamide is sourced from PubChem (CID 146139946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).