ethyl 1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-phenylpyrazole-3-carboxylate

C18H19N3O3 — CID 24982890

IUPACethyl 1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-phenylpyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccccc2)n(Cc2cc(CC)no2)n1
InChIInChI=1S/C18H19N3O3/c1-3-14-10-15(24-20-14)12-21-17(13-8-6-5-7-9-13)11-16(19-21)18(22)23-4-2/h5-11H,3-4,12H2,1-2H3
InChIKeyJEQDODVXTXBOHW-UHFFFAOYSA-N
MW325.37 g/mol
LogP3.33
Rot. Bonds6

About ethyl 1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-phenylpyrazole-3-carboxylate

ethyl 1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-phenylpyrazole-3-carboxylate (PubChem CID 24982890) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is ethyl 1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-phenylpyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-phenylpyrazole-3-carboxylate
PubChem CID24982890
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Nameethyl 1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-phenylpyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccccc2)n(Cc2cc(CC)no2)n1
InChIInChI=1S/C18H19N3O3/c1-3-14-10-15(24-20-14)12-21-17(13-8-6-5-7-9-13)11-16(19-21)18(22)23-4-2/h5-11H,3-4,12H2,1-2H3
InChIKeyJEQDODVXTXBOHW-UHFFFAOYSA-N
XLogP3.33
TPSA70.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 3-phenyl-1-(phenylmethyl)-1H-pyrazole-5-carboxylate
CID 3403603
methyl 5-methyl-4-[1-(4-methylbenzoyl)-1H-pyrazol-5-yl]isoxazole-3-carboxylate
CID 2744899
Ethyl 1-benzyl-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxylate
CID 15991002
Ethyl 1-methyl-3-phenyl-1H-pyrazole-5-carboxylate
CID 4166529
Ethyl 1-benzyl-3-p-tolyl-1H-pyrazole-5-carboxylate
CID 15990984
1-[(3-Ethyl-1,2-oxazol-5-yl)methyl]-5-phenylpyrazole-3-carboxylic acid
CID 24980480
1-[(3-Ethyl-1,2-oxazol-5-yl)methyl]-3-phenylpyrazole-5-carboxylic acid
CID 24980534
N-[(2-methoxyphenyl)methyl]-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-phenylpyrazole-5-carboxamide
CID 24980539
Ethyl 1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-phenylpyrazole-5-carboxylate
CID 24980579
N-(2-methoxyethyl)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-phenylpyrazole-3-carboxamide
CID 24982195
1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-[(2-methoxyphenyl)methyl]-3-phenylpyrazole-5-carboxamide
CID 24982499
Ethyl 1-[[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-phenylpyrazole-5-carboxylate
CID 42601288

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-phenylpyrazole-3-carboxylate?
The IUPAC name of ethyl 1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-phenylpyrazole-3-carboxylate (CID 24982890) is ethyl 1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-phenylpyrazole-3-carboxylate.
What is the SMILES notation for ethyl 1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-phenylpyrazole-3-carboxylate?
The canonical SMILES for ethyl 1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-phenylpyrazole-3-carboxylate is CCOC(=O)c1cc(-c2ccccc2)n(Cc2cc(CC)no2)n1.
What is the InChIKey of ethyl 1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-phenylpyrazole-3-carboxylate?
The InChIKey is JEQDODVXTXBOHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-3-14-10-15(24-20-14)12-21-17(13-8-6-5-7-9-13)11-16(19-21)18(22)23-4-2/h5-11H,3-4,12H2,1-2H3.
What are the key properties of ethyl 1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-phenylpyrazole-3-carboxylate?
ethyl 1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-phenylpyrazole-3-carboxylate has a molecular weight of 325.37 g/mol, XLogP of 3.33, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-phenylpyrazole-3-carboxylate is sourced from PubChem (CID 24982890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).