1-(4-methoxyphenyl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)-5-pyridin-2-ylpyrazole-3-carboxamide

C21H19N5O3 — CID 167942618

IUPAC1-(4-methoxyphenyl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)-5-pyridin-2-ylpyrazole-3-carboxamide
SMILESCOc1ccc(-n2nc(C(=O)N(C)Cc3ccon3)cc2-c2ccccn2)cc1
InChIInChI=1S/C21H19N5O3/c1-25(14-15-10-12-29-24-15)21(27)19-13-20(18-5-3-4-11-22-18)26(23-19)16-6-8-17(28-2)9-7-16/h3-13H,14H2,1-2H3
InChIKeyXYLSVOYMWWIEEI-UHFFFAOYSA-N
MW389.42 g/mol
LogP3.20
Rot. Bonds6

About 1-(4-methoxyphenyl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)-5-pyridin-2-ylpyrazole-3-carboxamide

1-(4-methoxyphenyl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)-5-pyridin-2-ylpyrazole-3-carboxamide (PubChem CID 167942618) has the molecular formula C21H19N5O3 and a molecular weight of 389.42 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)-5-pyridin-2-ylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)-5-pyridin-2-ylpyrazole-3-carboxamide
PubChem CID167942618
Molecular FormulaC21H19N5O3
Molecular Weight389.42 g/mol
Exact Mass389.15
IUPAC Name1-(4-methoxyphenyl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)-5-pyridin-2-ylpyrazole-3-carboxamide
SMILESCOc1ccc(-n2nc(C(=O)N(C)Cc3ccon3)cc2-c2ccccn2)cc1
InChIInChI=1S/C21H19N5O3/c1-25(14-15-10-12-29-24-15)21(27)19-13-20(18-5-3-4-11-22-18)26(23-19)16-6-8-17(28-2)9-7-16/h3-13H,14H2,1-2H3
InChIKeyXYLSVOYMWWIEEI-UHFFFAOYSA-N
XLogP3.20
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-N-(1,2-oxazol-3-ylmethyl)-1,5-diphenylpyrazole-3-carboxamide
CID 167951973
1-(6-methoxy-3-pyridinyl)-5-pyridin-2-ylpyrazole-3-carboxylic acid
CID 23090500
5-[(4-acetylphenoxy)methyl]-N-methyl-N-(1,2-oxazol-3-ylmethyl)-1,2-oxazole-3-carboxamide
CID 24793819
[1-(6-methoxy-3-pyridinyl)-5-pyridin-2-ylpyrazol-3-yl]-morpholin-4-ylmethanone
CID 23090523
5-(4-methoxyphenyl)-1-phenyl-N-(2-pyridin-2-ylethyl)pyrazole-3-carboxamide
CID 55775417
5-(4-methoxyphenyl)-N-methyl-1-phenyl-N-propan-2-ylpyrazole-3-carboxamide
CID 166208629
5-(4-methoxyphenyl)-N-methyl-1-phenyl-N-(2-pyrrolidin-1-ylethyl)pyrazole-3-carboxamide
CID 56509594
3-[[1-(4-methoxyphenyl)-5-methylpyrazole-3-carbonyl]-methylamino]propanoic acid
CID 120524985
2-[1-(6-methoxy-3-pyridinyl)-5-pyridin-2-ylpyrazole-3-carbonyl]pyrazolidine-1-carboxylic acid
CID 141133524
1-(4-methoxyphenyl)-N-methyl-6-oxo-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 91954977
N-ethyl-5-(5-hydroxy-2-pyridinyl)-1-(6-methoxy-3-pyridinyl)-N-methylpyrazole-3-carboxamide
CID 135697947
N-methyl-N-(1,2-oxazol-3-ylmethyl)-2-(1-pyridin-2-ylpyrazol-4-yl)quinoline-4-carboxamide
CID 46984469

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)-5-pyridin-2-ylpyrazole-3-carboxamide?
The IUPAC name of 1-(4-methoxyphenyl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)-5-pyridin-2-ylpyrazole-3-carboxamide (CID 167942618) is 1-(4-methoxyphenyl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)-5-pyridin-2-ylpyrazole-3-carboxamide.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)-5-pyridin-2-ylpyrazole-3-carboxamide?
The canonical SMILES for 1-(4-methoxyphenyl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)-5-pyridin-2-ylpyrazole-3-carboxamide is COc1ccc(-n2nc(C(=O)N(C)Cc3ccon3)cc2-c2ccccn2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)-5-pyridin-2-ylpyrazole-3-carboxamide?
The InChIKey is XYLSVOYMWWIEEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O3/c1-25(14-15-10-12-29-24-15)21(27)19-13-20(18-5-3-4-11-22-18)26(23-19)16-6-8-17(28-2)9-7-16/h3-13H,14H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)-5-pyridin-2-ylpyrazole-3-carboxamide?
1-(4-methoxyphenyl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)-5-pyridin-2-ylpyrazole-3-carboxamide has a molecular weight of 389.42 g/mol, XLogP of 3.20, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)-5-pyridin-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 167942618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).