ethyl 1-methyl-5-(pyridin-3-yloxymethyl)pyrazole-4-carboxylate

C13H15N3O3 — CID 116629743

IUPACethyl 1-methyl-5-(pyridin-3-yloxymethyl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C)c1COc1cccnc1
InChIInChI=1S/C13H15N3O3/c1-3-18-13(17)11-8-15-16(2)12(11)9-19-10-5-4-6-14-7-10/h4-8H,3,9H2,1-2H3
InChIKeyZVTYFHAHBCKOMA-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.57
Rot. Bonds5

About ethyl 1-methyl-5-(pyridin-3-yloxymethyl)pyrazole-4-carboxylate

ethyl 1-methyl-5-(pyridin-3-yloxymethyl)pyrazole-4-carboxylate (PubChem CID 116629743) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is ethyl 1-methyl-5-(pyridin-3-yloxymethyl)pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-methyl-5-(pyridin-3-yloxymethyl)pyrazole-4-carboxylate
PubChem CID116629743
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Nameethyl 1-methyl-5-(pyridin-3-yloxymethyl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C)c1COc1cccnc1
InChIInChI=1S/C13H15N3O3/c1-3-18-13(17)11-8-15-16(2)12(11)9-19-10-5-4-6-14-7-10/h4-8H,3,9H2,1-2H3
InChIKeyZVTYFHAHBCKOMA-UHFFFAOYSA-N
XLogP1.57
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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-[(1-propylpyrazol-4-yl)oxymethyl]pyrazole-4-carboxylate
CID 116800021
ethyl 5-[(2-fluoro-3-methylphenoxy)methyl]-1-methylpyrazole-4-carboxylate
CID 107655048
ethyl 1-methyl-5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]pyrazole-4-carboxylate
CID 116629798
ethyl 1-methyl-5-(pyrimidin-2-ylsulfanylmethyl)pyrazole-4-carboxylate
CID 116629915
ethyl 5-(butoxymethyl)-1-methylpyrazole-4-carboxylate
CID 116629704
ethyl 5-[(3-ethylpentan-3-ylamino)methyl]-1-methylpyrazole-4-carboxylate
CID 116631277
ethyl 1-methyl-5-[(4-methylphenyl)sulfinylmethyl]pyrazole-4-carboxylate
CID 116632493
ethyl 1-methyl-5-[(2-methylimidazol-1-yl)methyl]pyrazole-4-carboxylate
CID 116630147
ethyl 5-(2-butoxyethoxymethyl)-1-methylpyrazole-4-carboxylate
CID 116629640
1-methyl-5-[(3-methylphenoxy)methyl]pyrazole-4-carboxylic acid
CID 116629519

Frequently Asked Questions

What is the IUPAC name of ethyl 1-methyl-5-(pyridin-3-yloxymethyl)pyrazole-4-carboxylate?
The IUPAC name of ethyl 1-methyl-5-(pyridin-3-yloxymethyl)pyrazole-4-carboxylate (CID 116629743) is ethyl 1-methyl-5-(pyridin-3-yloxymethyl)pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-methyl-5-(pyridin-3-yloxymethyl)pyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-methyl-5-(pyridin-3-yloxymethyl)pyrazole-4-carboxylate is CCOC(=O)c1cnn(C)c1COc1cccnc1.
What is the InChIKey of ethyl 1-methyl-5-(pyridin-3-yloxymethyl)pyrazole-4-carboxylate?
The InChIKey is ZVTYFHAHBCKOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-3-18-13(17)11-8-15-16(2)12(11)9-19-10-5-4-6-14-7-10/h4-8H,3,9H2,1-2H3.
What are the key properties of ethyl 1-methyl-5-(pyridin-3-yloxymethyl)pyrazole-4-carboxylate?
ethyl 1-methyl-5-(pyridin-3-yloxymethyl)pyrazole-4-carboxylate has a molecular weight of 261.28 g/mol, XLogP of 1.57, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-methyl-5-(pyridin-3-yloxymethyl)pyrazole-4-carboxylate is sourced from PubChem (CID 116629743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).