N-(2,4-difluorophenyl)-3-methyl-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]pyrazole-4-carboxamide

C20H15F2N5O2 — CID 50780812

IUPACN-(2,4-difluorophenyl)-3-methyl-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]pyrazole-4-carboxamide
SMILESCc1nc(-c2ccc(-n3cc(C(=O)Nc4ccc(F)cc4F)c(C)n3)cc2)no1
InChIInChI=1S/C20H15F2N5O2/c1-11-16(20(28)24-18-8-5-14(21)9-17(18)22)10-27(25-11)15-6-3-13(4-7-15)19-23-12(2)29-26-19/h3-10H,1-2H3,(H,24,28)
InChIKeyDVRXYROZMUOZSY-UHFFFAOYSA-N
MW395.37 g/mol
LogP4.07
Rot. Bonds4

About N-(2,4-difluorophenyl)-3-methyl-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]pyrazole-4-carboxamide

N-(2,4-difluorophenyl)-3-methyl-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]pyrazole-4-carboxamide (PubChem CID 50780812) has the molecular formula C20H15F2N5O2 and a molecular weight of 395.37 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-3-methyl-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-3-methyl-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]pyrazole-4-carboxamide
PubChem CID50780812
Molecular FormulaC20H15F2N5O2
Molecular Weight395.37 g/mol
Exact Mass395.12
IUPAC NameN-(2,4-difluorophenyl)-3-methyl-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]pyrazole-4-carboxamide
SMILESCc1nc(-c2ccc(-n3cc(C(=O)Nc4ccc(F)cc4F)c(C)n3)cc2)no1
InChIInChI=1S/C20H15F2N5O2/c1-11-16(20(28)24-18-8-5-14(21)9-17(18)22)10-27(25-11)15-6-3-13(4-7-15)19-23-12(2)29-26-19/h3-10H,1-2H3,(H,24,28)
InChIKeyDVRXYROZMUOZSY-UHFFFAOYSA-N
XLogP4.07
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.37
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(2,4,6-trimethylphenyl)pyrazole-4-carboxamide
CID 50780718
1-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]-N-(2,4-difluorophenyl)-3-methylpyrazole-4-carboxamide
CID 50821188
N-(4-chloro-2-methylphenyl)-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]-3-methylpyrazole-4-carboxamide
CID 50780768
1-[4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(2,3-dimethylphenyl)-3-methylpyrazole-4-carboxamide
CID 50780800
1-[4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(2-ethylphenyl)-3-methylpyrazole-4-carboxamide
CID 50780823
1-(4-fluorophenyl)-3,5-dimethyl-N-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]pyrazole-4-carboxamide
CID 166294128
1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(4-methoxyphenyl)-3-methylpyrazole-4-carboxamide
CID 50780609
1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(3-methoxyphenyl)-3-methylpyrazole-4-carboxamide
CID 50780674
1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-3-methyl-N-(4-propan-2-ylphenyl)pyrazole-4-carboxamide
CID 50780675
[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl] 2,4-difluorobenzenesulfonate
CID 33147004
4-fluoro-2-iodo-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
CID 55766056
N-(4-fluoro-2-methylphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 35523427

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-3-methyl-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]pyrazole-4-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-3-methyl-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]pyrazole-4-carboxamide (CID 50780812) is N-(2,4-difluorophenyl)-3-methyl-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-3-methyl-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]pyrazole-4-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-3-methyl-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]pyrazole-4-carboxamide is Cc1nc(-c2ccc(-n3cc(C(=O)Nc4ccc(F)cc4F)c(C)n3)cc2)no1.
What is the InChIKey of N-(2,4-difluorophenyl)-3-methyl-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]pyrazole-4-carboxamide?
The InChIKey is DVRXYROZMUOZSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N5O2/c1-11-16(20(28)24-18-8-5-14(21)9-17(18)22)10-27(25-11)15-6-3-13(4-7-15)19-23-12(2)29-26-19/h3-10H,1-2H3,(H,24,28).
What are the key properties of N-(2,4-difluorophenyl)-3-methyl-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]pyrazole-4-carboxamide?
N-(2,4-difluorophenyl)-3-methyl-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]pyrazole-4-carboxamide has a molecular weight of 395.37 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-3-methyl-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 50780812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).