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

C20H16FN5O2 — CID 50780501

IUPACN-(3-fluorophenyl)-3-methyl-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]pyrazole-4-carboxamide
SMILESCc1nc(-c2ccc(-n3cc(C(=O)Nc4cccc(F)c4)c(C)n3)cc2)no1
InChIInChI=1S/C20H16FN5O2/c1-12-18(20(27)23-16-5-3-4-15(21)10-16)11-26(24-12)17-8-6-14(7-9-17)19-22-13(2)28-25-19/h3-11H,1-2H3,(H,23,27)
InChIKeyBOAHQBCVGFORKU-UHFFFAOYSA-N
MW377.38 g/mol
LogP3.93
Rot. Bonds4

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

N-(3-fluorophenyl)-3-methyl-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]pyrazole-4-carboxamide (PubChem CID 50780501) has the molecular formula C20H16FN5O2 and a molecular weight of 377.38 g/mol. Its IUPAC name is N-(3-fluorophenyl)-3-methyl-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-3-methyl-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]pyrazole-4-carboxamide
PubChem CID50780501
Molecular FormulaC20H16FN5O2
Molecular Weight377.38 g/mol
Exact Mass377.13
IUPAC NameN-(3-fluorophenyl)-3-methyl-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]pyrazole-4-carboxamide
SMILESCc1nc(-c2ccc(-n3cc(C(=O)Nc4cccc(F)c4)c(C)n3)cc2)no1
InChIInChI=1S/C20H16FN5O2/c1-12-18(20(27)23-16-5-3-4-15(21)10-16)11-26(24-12)17-8-6-14(7-9-17)19-22-13(2)28-25-19/h3-11H,1-2H3,(H,23,27)
InChIKeyBOAHQBCVGFORKU-UHFFFAOYSA-N
XLogP3.93
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.38
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-3-methyl-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]pyrazole-4-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-3-methyl-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]pyrazole-4-carboxamide (CID 50780501) is N-(3-fluorophenyl)-3-methyl-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-3-methyl-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]pyrazole-4-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-3-methyl-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]pyrazole-4-carboxamide is Cc1nc(-c2ccc(-n3cc(C(=O)Nc4cccc(F)c4)c(C)n3)cc2)no1.
What is the InChIKey of N-(3-fluorophenyl)-3-methyl-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]pyrazole-4-carboxamide?
The InChIKey is BOAHQBCVGFORKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5O2/c1-12-18(20(27)23-16-5-3-4-15(21)10-16)11-26(24-12)17-8-6-14(7-9-17)19-22-13(2)28-25-19/h3-11H,1-2H3,(H,23,27).
What are the key properties of N-(3-fluorophenyl)-3-methyl-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]pyrazole-4-carboxamide?
N-(3-fluorophenyl)-3-methyl-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]pyrazole-4-carboxamide has a molecular weight of 377.38 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-3-methyl-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 50780501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).