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

C26H22N6O3 — CID 90563028

IUPAC3-(3-methoxyphenyl)-1-methyl-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]pyrazole-5-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)Nc3ccccc3Cc3nc(-c4ccncc4)no3)n(C)n2)c1
InChIInChI=1S/C26H22N6O3/c1-32-23(16-22(30-32)18-7-5-8-20(14-18)34-2)26(33)28-21-9-4-3-6-19(21)15-24-29-25(31-35-24)17-10-12-27-13-11-17/h3-14,16H,15H2,1-2H3,(H,28,33)
InChIKeyFACCRAVNSWHHCW-UHFFFAOYSA-N
MW466.50 g/mol
LogP4.38
Rot. Bonds7

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

3-(3-methoxyphenyl)-1-methyl-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]pyrazole-5-carboxamide (PubChem CID 90563028) has the molecular formula C26H22N6O3 and a molecular weight of 466.50 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-1-methyl-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-1-methyl-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]pyrazole-5-carboxamide
PubChem CID90563028
Molecular FormulaC26H22N6O3
Molecular Weight466.50 g/mol
Exact Mass466.18
IUPAC Name3-(3-methoxyphenyl)-1-methyl-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]pyrazole-5-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)Nc3ccccc3Cc3nc(-c4ccncc4)no3)n(C)n2)c1
InChIInChI=1S/C26H22N6O3/c1-32-23(16-22(30-32)18-7-5-8-20(14-18)34-2)26(33)28-21-9-4-3-6-19(21)15-24-29-25(31-35-24)17-10-12-27-13-11-17/h3-14,16H,15H2,1-2H3,(H,28,33)
InChIKeyFACCRAVNSWHHCW-UHFFFAOYSA-N
XLogP4.38
TPSA107.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.50
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-methyl-3-phenyl-N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]pyrazole-5-carboxamide
CID 71800507
6-methoxy-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-1H-indole-2-carboxamide
CID 90563019
N-(2-fluorophenyl)-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 42758735
N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide
CID 90562852
3-(3-methoxyphenyl)-1-methyl-N-(2-methylsulfanylphenyl)pyrazole-5-carboxamide
CID 121088697
3-fluoro-4-methoxy-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide
CID 90563077
3-methoxy-1-methyl-N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]pyrazole-4-carboxamide
CID 71800518
2-ethoxy-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide
CID 71800533
N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]pyrazine-2-carboxamide
CID 90562990
1-(3,4-dimethoxyphenyl)-3-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea
CID 90563093
2-methyl-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-1,3-thiazole-4-carboxamide
CID 90562819
N-(4-acetamidophenyl)-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 121089505

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-1-methyl-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]pyrazole-5-carboxamide?
The IUPAC name of 3-(3-methoxyphenyl)-1-methyl-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]pyrazole-5-carboxamide (CID 90563028) is 3-(3-methoxyphenyl)-1-methyl-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]pyrazole-5-carboxamide.
What is the SMILES notation for 3-(3-methoxyphenyl)-1-methyl-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]pyrazole-5-carboxamide?
The canonical SMILES for 3-(3-methoxyphenyl)-1-methyl-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]pyrazole-5-carboxamide is COc1cccc(-c2cc(C(=O)Nc3ccccc3Cc3nc(-c4ccncc4)no3)n(C)n2)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-1-methyl-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]pyrazole-5-carboxamide?
The InChIKey is FACCRAVNSWHHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N6O3/c1-32-23(16-22(30-32)18-7-5-8-20(14-18)34-2)26(33)28-21-9-4-3-6-19(21)15-24-29-25(31-35-24)17-10-12-27-13-11-17/h3-14,16H,15H2,1-2H3,(H,28,33).
What are the key properties of 3-(3-methoxyphenyl)-1-methyl-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]pyrazole-5-carboxamide?
3-(3-methoxyphenyl)-1-methyl-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]pyrazole-5-carboxamide has a molecular weight of 466.50 g/mol, XLogP of 4.38, 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-methyl-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]pyrazole-5-carboxamide is sourced from PubChem (CID 90563028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).