5-methyl-N-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]-1-(6-methyl-2-pyridinyl)pyrazole-4-carboxamide

C22H20N6O3 — CID 59735105

IUPAC5-methyl-N-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]-1-(6-methyl-2-pyridinyl)pyrazole-4-carboxamide
SMILESCc1cccc(-n2ncc(C(=O)Nc3cc(C(=O)Nc4ccon4)ccc3C)c2C)n1
InChIInChI=1S/C22H20N6O3/c1-13-7-8-16(21(29)26-19-9-10-31-27-19)11-18(13)25-22(30)17-12-23-28(15(17)3)20-6-4-5-14(2)24-20/h4-12H,1-3H3,(H,25,30)(H,26,27,29)
InChIKeyBDBHIEVBUPAUBQ-UHFFFAOYSA-N
MW416.44 g/mol
LogP3.69
Rot. Bonds5

About 5-methyl-N-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]-1-(6-methyl-2-pyridinyl)pyrazole-4-carboxamide

5-methyl-N-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]-1-(6-methyl-2-pyridinyl)pyrazole-4-carboxamide (PubChem CID 59735105) has the molecular formula C22H20N6O3 and a molecular weight of 416.44 g/mol. Its IUPAC name is 5-methyl-N-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]-1-(6-methyl-2-pyridinyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]-1-(6-methyl-2-pyridinyl)pyrazole-4-carboxamide
PubChem CID59735105
Molecular FormulaC22H20N6O3
Molecular Weight416.44 g/mol
Exact Mass416.16
IUPAC Name5-methyl-N-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]-1-(6-methyl-2-pyridinyl)pyrazole-4-carboxamide
SMILESCc1cccc(-n2ncc(C(=O)Nc3cc(C(=O)Nc4ccon4)ccc3C)c2C)n1
InChIInChI=1S/C22H20N6O3/c1-13-7-8-16(21(29)26-19-9-10-31-27-19)11-18(13)25-22(30)17-12-23-28(15(17)3)20-6-4-5-14(2)24-20/h4-12H,1-3H3,(H,25,30)(H,26,27,29)
InChIKeyBDBHIEVBUPAUBQ-UHFFFAOYSA-N
XLogP3.69
TPSA114.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.44
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]-1-(6-methyl-2-pyridinyl)pyrazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]-1-(6-methyl-2-pyridinyl)pyrazole-4-carboxamide (CID 59735105) is 5-methyl-N-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]-1-(6-methyl-2-pyridinyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]-1-(6-methyl-2-pyridinyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]-1-(6-methyl-2-pyridinyl)pyrazole-4-carboxamide is Cc1cccc(-n2ncc(C(=O)Nc3cc(C(=O)Nc4ccon4)ccc3C)c2C)n1.
What is the InChIKey of 5-methyl-N-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]-1-(6-methyl-2-pyridinyl)pyrazole-4-carboxamide?
The InChIKey is BDBHIEVBUPAUBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O3/c1-13-7-8-16(21(29)26-19-9-10-31-27-19)11-18(13)25-22(30)17-12-23-28(15(17)3)20-6-4-5-14(2)24-20/h4-12H,1-3H3,(H,25,30)(H,26,27,29).
What are the key properties of 5-methyl-N-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]-1-(6-methyl-2-pyridinyl)pyrazole-4-carboxamide?
5-methyl-N-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]-1-(6-methyl-2-pyridinyl)pyrazole-4-carboxamide has a molecular weight of 416.44 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-methyl-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]-1-(6-methyl-2-pyridinyl)pyrazole-4-carboxamide is sourced from PubChem (CID 59735105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).