ethyl 5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-1-methylpyrazole-4-carboxylate

C15H22N4O2 — CID 116630256

IUPACethyl 5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-1-methylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C)c1Cn1nc(C)c(CC)c1C
InChIInChI=1S/C15H22N4O2/c1-6-12-10(3)17-19(11(12)4)9-14-13(8-16-18(14)5)15(20)21-7-2/h8H,6-7,9H2,1-5H3
InChIKeyTYDVXXYJJYDODF-UHFFFAOYSA-N
MW290.37 g/mol
LogP2.02
Rot. Bonds5

About ethyl 5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-1-methylpyrazole-4-carboxylate

ethyl 5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-1-methylpyrazole-4-carboxylate (PubChem CID 116630256) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is ethyl 5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-1-methylpyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-1-methylpyrazole-4-carboxylate
PubChem CID116630256
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Nameethyl 5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-1-methylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C)c1Cn1nc(C)c(CC)c1C
InChIInChI=1S/C15H22N4O2/c1-6-12-10(3)17-19(11(12)4)9-14-13(8-16-18(14)5)15(20)21-7-2/h8H,6-7,9H2,1-5H3
InChIKeyTYDVXXYJJYDODF-UHFFFAOYSA-N
XLogP2.02
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-methyl-5-[(3,4,5-trimethylpyrazol-1-yl)methyl]pyrazole-4-carboxylate
CID 116630254
ethyl 5-[(2,7-dioxoazepan-1-yl)methyl]-1-methylpyrazole-4-carboxylate
CID 116630223
ethyl 1-methyl-5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]pyrazole-4-carboxylate
CID 116629798
ethyl 1-methyl-5-[(2-methylimidazol-1-yl)methyl]pyrazole-4-carboxylate
CID 116630147
ethyl 5-[(3-cyclopropylpyrazol-1-yl)methyl]-1-methylpyrazole-4-carboxylate
CID 116630344
ethyl 5-(butoxymethyl)-1-methylpyrazole-4-carboxylate
CID 116629704
ethyl 1-methyl-5-[(2-oxo-3-propylimidazol-1-yl)methyl]pyrazole-4-carboxylate
CID 116630397
ethyl 5-[(2,6-dimethylthiomorpholin-4-yl)methyl]-1-methylpyrazole-4-carboxylate
CID 116632169
ethyl 1-methyl-5-[(2-oxo-1,3-thiazol-3-yl)methyl]pyrazole-4-carboxylate
CID 116630304
ethyl 5-[(3-ethylpentan-3-ylamino)methyl]-1-methylpyrazole-4-carboxylate
CID 116631277
ethyl 6-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 113225230
ethyl 1-methyl-5-(3-methylbutan-2-ylsulfinylmethyl)pyrazole-4-carboxylate
CID 107753290

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-1-methylpyrazole-4-carboxylate?
The IUPAC name of ethyl 5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-1-methylpyrazole-4-carboxylate (CID 116630256) is ethyl 5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-1-methylpyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-1-methylpyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-1-methylpyrazole-4-carboxylate is CCOC(=O)c1cnn(C)c1Cn1nc(C)c(CC)c1C.
What is the InChIKey of ethyl 5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-1-methylpyrazole-4-carboxylate?
The InChIKey is TYDVXXYJJYDODF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-6-12-10(3)17-19(11(12)4)9-14-13(8-16-18(14)5)15(20)21-7-2/h8H,6-7,9H2,1-5H3.
What are the key properties of ethyl 5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-1-methylpyrazole-4-carboxylate?
ethyl 5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-1-methylpyrazole-4-carboxylate has a molecular weight of 290.37 g/mol, XLogP of 2.02, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-1-methylpyrazole-4-carboxylate is sourced from PubChem (CID 116630256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).