ethyl 1-methyl-5-[(1-propylpyrazol-4-yl)oxymethyl]pyrazole-4-carboxylate

C14H20N4O3 — CID 116800021

IUPACethyl 1-methyl-5-[(1-propylpyrazol-4-yl)oxymethyl]pyrazole-4-carboxylate
SMILESCCCn1cc(OCc2c(C(=O)OCC)cnn2C)cn1
InChIInChI=1S/C14H20N4O3/c1-4-6-18-9-11(7-16-18)21-10-13-12(8-15-17(13)3)14(19)20-5-2/h7-9H,4-6,10H2,1-3H3
InChIKeyKEVJCODTVRRDOG-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.78
Rot. Bonds7

About ethyl 1-methyl-5-[(1-propylpyrazol-4-yl)oxymethyl]pyrazole-4-carboxylate

ethyl 1-methyl-5-[(1-propylpyrazol-4-yl)oxymethyl]pyrazole-4-carboxylate (PubChem CID 116800021) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is ethyl 1-methyl-5-[(1-propylpyrazol-4-yl)oxymethyl]pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-methyl-5-[(1-propylpyrazol-4-yl)oxymethyl]pyrazole-4-carboxylate
PubChem CID116800021
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Nameethyl 1-methyl-5-[(1-propylpyrazol-4-yl)oxymethyl]pyrazole-4-carboxylate
SMILESCCCn1cc(OCc2c(C(=O)OCC)cnn2C)cn1
InChIInChI=1S/C14H20N4O3/c1-4-6-18-9-11(7-16-18)21-10-13-12(8-15-17(13)3)14(19)20-5-2/h7-9H,4-6,10H2,1-3H3
InChIKeyKEVJCODTVRRDOG-UHFFFAOYSA-N
XLogP1.78
TPSA71.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.78
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 5-(butoxymethyl)-1-methylpyrazole-4-carboxylate
CID 116629704
ethyl 1-methyl-5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]pyrazole-4-carboxylate
CID 116629798
ethyl 5-(2-butoxyethoxymethyl)-1-methylpyrazole-4-carboxylate
CID 116629640
ethyl 5-[(2-fluoro-3-methylphenoxy)methyl]-1-methylpyrazole-4-carboxylate
CID 107655048
ethyl 5-[(3-ethylpentan-3-ylamino)methyl]-1-methylpyrazole-4-carboxylate
CID 116631277
N-ethyl-N-methyl-2-(1-propylpyrazol-4-yl)oxyacetamide
CID 116804991
ethyl 1-methyl-5-[(2-oxo-3-propylimidazol-1-yl)methyl]pyrazole-4-carboxylate
CID 116630397
ethyl 1-methyl-5-(2,2,3,3,3-pentafluoropropoxymethyl)pyrazole-4-carboxylate
CID 116629808
4-[(Z)-2,3-dichloroprop-2-enoxy]-1-propylpyrazole
CID 116804883

Frequently Asked Questions

What is the IUPAC name of ethyl 1-methyl-5-[(1-propylpyrazol-4-yl)oxymethyl]pyrazole-4-carboxylate?
The IUPAC name of ethyl 1-methyl-5-[(1-propylpyrazol-4-yl)oxymethyl]pyrazole-4-carboxylate (CID 116800021) is ethyl 1-methyl-5-[(1-propylpyrazol-4-yl)oxymethyl]pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-methyl-5-[(1-propylpyrazol-4-yl)oxymethyl]pyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-methyl-5-[(1-propylpyrazol-4-yl)oxymethyl]pyrazole-4-carboxylate is CCCn1cc(OCc2c(C(=O)OCC)cnn2C)cn1.
What is the InChIKey of ethyl 1-methyl-5-[(1-propylpyrazol-4-yl)oxymethyl]pyrazole-4-carboxylate?
The InChIKey is KEVJCODTVRRDOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-4-6-18-9-11(7-16-18)21-10-13-12(8-15-17(13)3)14(19)20-5-2/h7-9H,4-6,10H2,1-3H3.
What are the key properties of ethyl 1-methyl-5-[(1-propylpyrazol-4-yl)oxymethyl]pyrazole-4-carboxylate?
ethyl 1-methyl-5-[(1-propylpyrazol-4-yl)oxymethyl]pyrazole-4-carboxylate has a molecular weight of 292.34 g/mol, XLogP of 1.78, 7 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-propylpyrazol-4-yl)oxymethyl]pyrazole-4-carboxylate is sourced from PubChem (CID 116800021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).