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

C11H13N3O3 — CID 79969271

IUPACethyl 1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(Cc2cc(C)no2)c1
InChIInChI=1S/C11H13N3O3/c1-3-16-11(15)9-5-12-14(6-9)7-10-4-8(2)13-17-10/h4-6H,3,7H2,1-2H3
InChIKeyZNQGREFNEIGWBQ-UHFFFAOYSA-N
MW235.24 g/mol
LogP1.40
Rot. Bonds4

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

ethyl 1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrazole-4-carboxylate (PubChem CID 79969271) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is ethyl 1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrazole-4-carboxylate
PubChem CID79969271
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Nameethyl 1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(Cc2cc(C)no2)c1
InChIInChI=1S/C11H13N3O3/c1-3-16-11(15)9-5-12-14(6-9)7-10-4-8(2)13-17-10/h4-6H,3,7H2,1-2H3
InChIKeyZNQGREFNEIGWBQ-UHFFFAOYSA-N
XLogP1.40
TPSA70.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-[(2-aminophenyl)methyl]pyrazole-4-carboxylate
CID 81498202
ethyl 1-[(3,4,5-trifluorophenyl)methyl]pyrazole-4-carboxylate
CID 170757143
ethyl 1-[(2-amino-6-fluorophenyl)methyl]pyrazole-4-carboxylate
CID 81498624
ethyl 1-[(1-methyltriazol-4-yl)methyl]pyrazole-4-carboxylate
CID 107043996
4-[(4-ethoxycarbonylpyrazol-1-yl)methyl]benzoic acid
CID 58081217
ethyl 1-[(2-chlorophenyl)methyl]pyrazole-4-carboxylate
CID 52560491
3-[(4-ethoxycarbonylpyrazol-1-yl)methyl]furan-2-carboxylic acid
CID 81497778
ethyl 1-[(3-amino-2-fluorophenyl)methyl]pyrazole-4-carboxylate
CID 107347740
ethyl 1-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]pyrazole-4-carboxylate
CID 139382057
6-[(4-ethoxycarbonylpyrazol-1-yl)methyl]pyridine-3-carboxylic acid
CID 81497892
ethyl 1-[(2-chloro-6-fluorophenyl)methyl]pyrazole-4-carboxylate
CID 79970020
ethyl 1-(2-cyanoethyl)pyrazole-4-carboxylate
CID 71756324

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrazole-4-carboxylate?
The IUPAC name of ethyl 1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrazole-4-carboxylate (CID 79969271) is ethyl 1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrazole-4-carboxylate is CCOC(=O)c1cnn(Cc2cc(C)no2)c1.
What is the InChIKey of ethyl 1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrazole-4-carboxylate?
The InChIKey is ZNQGREFNEIGWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c1-3-16-11(15)9-5-12-14(6-9)7-10-4-8(2)13-17-10/h4-6H,3,7H2,1-2H3.
What are the key properties of ethyl 1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrazole-4-carboxylate?
ethyl 1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrazole-4-carboxylate has a molecular weight of 235.24 g/mol, XLogP of 1.40, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrazole-4-carboxylate is sourced from PubChem (CID 79969271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).