ethyl 1-methyl-5-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]pyrazole-3-carboxylate

C17H18N4O3 — CID 90275682

IUPACethyl 1-methyl-5-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]pyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2cc(-c3nc(C)no3)ccc2C)n(C)n1
InChIInChI=1S/C17H18N4O3/c1-5-23-17(22)14-9-15(21(4)19-14)13-8-12(7-6-10(13)2)16-18-11(3)20-24-16/h6-9H,5H2,1-4H3
InChIKeyUWVUFZVLNXYUMC-UHFFFAOYSA-N
MW326.36 g/mol
LogP2.93
Rot. Bonds4

About ethyl 1-methyl-5-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]pyrazole-3-carboxylate

ethyl 1-methyl-5-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]pyrazole-3-carboxylate (PubChem CID 90275682) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is ethyl 1-methyl-5-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]pyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-methyl-5-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]pyrazole-3-carboxylate
PubChem CID90275682
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC Nameethyl 1-methyl-5-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]pyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2cc(-c3nc(C)no3)ccc2C)n(C)n1
InChIInChI=1S/C17H18N4O3/c1-5-23-17(22)14-9-15(21(4)19-14)13-8-12(7-6-10(13)2)16-18-11(3)20-24-16/h6-9H,5H2,1-4H3
InChIKeyUWVUFZVLNXYUMC-UHFFFAOYSA-N
XLogP2.93
TPSA83.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 5-(3,4-dichlorophenyl)-1-methylpyrazole-3-carboxylate
CID 67452186
ethyl 5-(3,4-difluorophenyl)-1-methylpyrazole-3-carboxylate
CID 42878867
ethyl 5-(3-bromophenyl)-1-methylpyrazole-3-carboxylate
CID 57428257
ethyl 5-(3,5-dichlorophenyl)-1-methylpyrazole-3-carboxylate
CID 75176283
ethyl 5-(5-chloro-2-methoxyphenyl)-1-methylpyrazole-3-carboxylate
CID 118562617
ethyl 5-(2-fluoro-4-methoxyphenyl)-1-methylpyrazole-3-carboxylate
CID 42878869
tert-butyl 5-(3-methoxycarbonyl-1-methylpyrazol-5-yl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)indole-1-carboxylate
CID 58506065
ethyl 5-(6-cyclopropyl-4-methyl-3-pyridinyl)-1-methylpyrazole-3-carboxylate
CID 118148827
ethane;2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline
CID 171813495
ethyl 5-fluoro-1-methylpyrazole-3-carboxylate
CID 155722987
methyl 5-(4-ethoxyphenyl)-1-methylpyrazole-3-carboxylate
CID 62269593
ethyl 5-(3-cyclopropyl-1-methylpyrazol-5-yl)-1-methylpyrazole-3-carboxylate
CID 118617465

Frequently Asked Questions

What is the IUPAC name of ethyl 1-methyl-5-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]pyrazole-3-carboxylate?
The IUPAC name of ethyl 1-methyl-5-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]pyrazole-3-carboxylate (CID 90275682) is ethyl 1-methyl-5-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]pyrazole-3-carboxylate.
What is the SMILES notation for ethyl 1-methyl-5-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]pyrazole-3-carboxylate?
The canonical SMILES for ethyl 1-methyl-5-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]pyrazole-3-carboxylate is CCOC(=O)c1cc(-c2cc(-c3nc(C)no3)ccc2C)n(C)n1.
What is the InChIKey of ethyl 1-methyl-5-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]pyrazole-3-carboxylate?
The InChIKey is UWVUFZVLNXYUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c1-5-23-17(22)14-9-15(21(4)19-14)13-8-12(7-6-10(13)2)16-18-11(3)20-24-16/h6-9H,5H2,1-4H3.
What are the key properties of ethyl 1-methyl-5-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]pyrazole-3-carboxylate?
ethyl 1-methyl-5-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]pyrazole-3-carboxylate has a molecular weight of 326.36 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-methyl-5-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]pyrazole-3-carboxylate is sourced from PubChem (CID 90275682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).