N-[(3,5-difluorophenyl)methyl]-3-[5-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]benzamide

C21H17F2N5O2 — CID 46086564

IUPACN-[(3,5-difluorophenyl)methyl]-3-[5-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]benzamide
SMILESCc1nnc(-c2cc(C)n(-c3cccc(C(=O)NCc4cc(F)cc(F)c4)c3)n2)o1
InChIInChI=1S/C21H17F2N5O2/c1-12-6-19(21-26-25-13(2)30-21)27-28(12)18-5-3-4-15(9-18)20(29)24-11-14-7-16(22)10-17(23)8-14/h3-10H,11H2,1-2H3,(H,24,29)
InChIKeyMQCLTQFNPBFPNJ-UHFFFAOYSA-N
MW409.40 g/mol
LogP3.75
Rot. Bonds5

About N-[(3,5-difluorophenyl)methyl]-3-[5-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]benzamide

N-[(3,5-difluorophenyl)methyl]-3-[5-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]benzamide (PubChem CID 46086564) has the molecular formula C21H17F2N5O2 and a molecular weight of 409.40 g/mol. Its IUPAC name is N-[(3,5-difluorophenyl)methyl]-3-[5-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]benzamide.

Molecular Properties

Compound NameN-[(3,5-difluorophenyl)methyl]-3-[5-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]benzamide
PubChem CID46086564
Molecular FormulaC21H17F2N5O2
Molecular Weight409.40 g/mol
Exact Mass409.14
IUPAC NameN-[(3,5-difluorophenyl)methyl]-3-[5-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]benzamide
SMILESCc1nnc(-c2cc(C)n(-c3cccc(C(=O)NCc4cc(F)cc(F)c4)c3)n2)o1
InChIInChI=1S/C21H17F2N5O2/c1-12-6-19(21-26-25-13(2)30-21)27-28(12)18-5-3-4-15(9-18)20(29)24-11-14-7-16(22)10-17(23)8-14/h3-10H,11H2,1-2H3,(H,24,29)
InChIKeyMQCLTQFNPBFPNJ-UHFFFAOYSA-N
XLogP3.75
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.40
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-difluorophenyl)methyl]-3-[5-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]benzamide?
The IUPAC name of N-[(3,5-difluorophenyl)methyl]-3-[5-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]benzamide (CID 46086564) is N-[(3,5-difluorophenyl)methyl]-3-[5-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]benzamide.
What is the SMILES notation for N-[(3,5-difluorophenyl)methyl]-3-[5-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]benzamide?
The canonical SMILES for N-[(3,5-difluorophenyl)methyl]-3-[5-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]benzamide is Cc1nnc(-c2cc(C)n(-c3cccc(C(=O)NCc4cc(F)cc(F)c4)c3)n2)o1.
What is the InChIKey of N-[(3,5-difluorophenyl)methyl]-3-[5-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]benzamide?
The InChIKey is MQCLTQFNPBFPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2N5O2/c1-12-6-19(21-26-25-13(2)30-21)27-28(12)18-5-3-4-15(9-18)20(29)24-11-14-7-16(22)10-17(23)8-14/h3-10H,11H2,1-2H3,(H,24,29).
What are the key properties of N-[(3,5-difluorophenyl)methyl]-3-[5-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]benzamide?
N-[(3,5-difluorophenyl)methyl]-3-[5-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]benzamide has a molecular weight of 409.40 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-difluorophenyl)methyl]-3-[5-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]benzamide is sourced from PubChem (CID 46086564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).