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

C24H19N5O3S — CID 47082628

IUPAC3-(3-methoxyphenyl)-1-phenyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-4-carboxamide
SMILESCOc1cccc(-c2nn(-c3ccccc3)cc2C(=O)NCc2nc(-c3cccs3)no2)c1
InChIInChI=1S/C24H19N5O3S/c1-31-18-10-5-7-16(13-18)22-19(15-29(27-22)17-8-3-2-4-9-17)24(30)25-14-21-26-23(28-32-21)20-11-6-12-33-20/h2-13,15H,14H2,1H3,(H,25,30)
InChIKeyMMFKHRZCANQGSD-UHFFFAOYSA-N
MW457.52 g/mol
LogP4.59
Rot. Bonds7

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

3-(3-methoxyphenyl)-1-phenyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-4-carboxamide (PubChem CID 47082628) has the molecular formula C24H19N5O3S and a molecular weight of 457.52 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-1-phenyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-1-phenyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-4-carboxamide
PubChem CID47082628
Molecular FormulaC24H19N5O3S
Molecular Weight457.52 g/mol
Exact Mass457.12
IUPAC Name3-(3-methoxyphenyl)-1-phenyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-4-carboxamide
SMILESCOc1cccc(-c2nn(-c3ccccc3)cc2C(=O)NCc2nc(-c3cccs3)no2)c1
InChIInChI=1S/C24H19N5O3S/c1-31-18-10-5-7-16(13-18)22-19(15-29(27-22)17-8-3-2-4-9-17)24(30)25-14-21-26-23(28-32-21)20-11-6-12-33-20/h2-13,15H,14H2,1H3,(H,25,30)
InChIKeyMMFKHRZCANQGSD-UHFFFAOYSA-N
XLogP4.59
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.52
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-1-phenyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-4-carboxamide?
The IUPAC name of 3-(3-methoxyphenyl)-1-phenyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-4-carboxamide (CID 47082628) is 3-(3-methoxyphenyl)-1-phenyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 3-(3-methoxyphenyl)-1-phenyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for 3-(3-methoxyphenyl)-1-phenyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-4-carboxamide is COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)NCc2nc(-c3cccs3)no2)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-1-phenyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-4-carboxamide?
The InChIKey is MMFKHRZCANQGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O3S/c1-31-18-10-5-7-16(13-18)22-19(15-29(27-22)17-8-3-2-4-9-17)24(30)25-14-21-26-23(28-32-21)20-11-6-12-33-20/h2-13,15H,14H2,1H3,(H,25,30).
What are the key properties of 3-(3-methoxyphenyl)-1-phenyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-4-carboxamide?
3-(3-methoxyphenyl)-1-phenyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-4-carboxamide has a molecular weight of 457.52 g/mol, XLogP of 4.59, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-1-phenyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 47082628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).