ethyl 1-methyl-5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]pyrazole-4-carboxylate

C14H20N4O3 — CID 116629798

IUPACethyl 1-methyl-5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C)c1COc1c(C)nn(C)c1C
InChIInChI=1S/C14H20N4O3/c1-6-20-14(19)11-7-15-18(5)12(11)8-21-13-9(2)16-17(4)10(13)3/h7H,6,8H2,1-5H3
InChIKeyGUSYCLNPETWHJT-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.53
Rot. Bonds5

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

ethyl 1-methyl-5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]pyrazole-4-carboxylate (PubChem CID 116629798) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is ethyl 1-methyl-5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-methyl-5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]pyrazole-4-carboxylate
PubChem CID116629798
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Nameethyl 1-methyl-5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C)c1COc1c(C)nn(C)c1C
InChIInChI=1S/C14H20N4O3/c1-6-20-14(19)11-7-15-18(5)12(11)8-21-13-9(2)16-17(4)10(13)3/h7H,6,8H2,1-5H3
InChIKeyGUSYCLNPETWHJT-UHFFFAOYSA-N
XLogP1.53
TPSA71.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 5-[(4-iodophenoxy)methyl]-1-methylpyrazole-4-carboxylate
CID 116629673
ethyl 5-[(3,5-dichlorophenoxy)methyl]-1-methylpyrazole-4-carboxylate
CID 116629715
ethyl 1-methyl-5-(pyridin-3-yloxymethyl)pyrazole-4-carboxylate
CID 116629743
ethyl 1-methyl-5-[(3,4,5-trimethylpyrazol-1-yl)methyl]pyrazole-4-carboxylate
CID 116630254
ethyl 1-methyl-5-[(1-propylpyrazol-4-yl)oxymethyl]pyrazole-4-carboxylate
CID 116800021
ethyl 5-(butoxymethyl)-1-methylpyrazole-4-carboxylate
CID 116629704
ethyl 5-[(2-fluoro-3-methylphenoxy)methyl]-1-methylpyrazole-4-carboxylate
CID 107655048
ethyl 5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-1-methylpyrazole-4-carboxylate
CID 116630256
ethyl 5-[(3-ethylpentan-3-ylamino)methyl]-1-methylpyrazole-4-carboxylate
CID 116631277
ethyl 5-(2-butoxyethoxymethyl)-1-methylpyrazole-4-carboxylate
CID 116629640
ethyl 1-methyl-5-(2,2,3,3,3-pentafluoropropoxymethyl)pyrazole-4-carboxylate
CID 116629808
ethyl 1-methyl-5-[(4-methylphenyl)sulfinylmethyl]pyrazole-4-carboxylate
CID 116632493

Frequently Asked Questions

What is the IUPAC name of ethyl 1-methyl-5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]pyrazole-4-carboxylate?
The IUPAC name of ethyl 1-methyl-5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]pyrazole-4-carboxylate (CID 116629798) is ethyl 1-methyl-5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-methyl-5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]pyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-methyl-5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]pyrazole-4-carboxylate is CCOC(=O)c1cnn(C)c1COc1c(C)nn(C)c1C.
What is the InChIKey of ethyl 1-methyl-5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]pyrazole-4-carboxylate?
The InChIKey is GUSYCLNPETWHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-6-20-14(19)11-7-15-18(5)12(11)8-21-13-9(2)16-17(4)10(13)3/h7H,6,8H2,1-5H3.
What are the key properties of ethyl 1-methyl-5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]pyrazole-4-carboxylate?
ethyl 1-methyl-5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]pyrazole-4-carboxylate has a molecular weight of 292.34 g/mol, XLogP of 1.53, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-methyl-5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]pyrazole-4-carboxylate is sourced from PubChem (CID 116629798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).