[4-ethyl-3-methyl-1-(2-phenoxyethyl)pyrazol-5-yl] 5-methylpyrazole-1-carboxylate

C19H22N4O3 — CID 70620996

IUPAC[4-ethyl-3-methyl-1-(2-phenoxyethyl)pyrazol-5-yl] 5-methylpyrazole-1-carboxylate
SMILESCCc1c(C)nn(CCOc2ccccc2)c1OC(=O)n1nccc1C
InChIInChI=1S/C19H22N4O3/c1-4-17-15(3)21-22(12-13-25-16-8-6-5-7-9-16)18(17)26-19(24)23-14(2)10-11-20-23/h5-11H,4,12-13H2,1-3H3
InChIKeyOFMWPGOFEUEELH-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.38
Rot. Bonds6

About [4-ethyl-3-methyl-1-(2-phenoxyethyl)pyrazol-5-yl] 5-methylpyrazole-1-carboxylate

[4-ethyl-3-methyl-1-(2-phenoxyethyl)pyrazol-5-yl] 5-methylpyrazole-1-carboxylate (PubChem CID 70620996) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is [4-ethyl-3-methyl-1-(2-phenoxyethyl)pyrazol-5-yl] 5-methylpyrazole-1-carboxylate.

Molecular Properties

Compound Name[4-ethyl-3-methyl-1-(2-phenoxyethyl)pyrazol-5-yl] 5-methylpyrazole-1-carboxylate
PubChem CID70620996
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name[4-ethyl-3-methyl-1-(2-phenoxyethyl)pyrazol-5-yl] 5-methylpyrazole-1-carboxylate
SMILESCCc1c(C)nn(CCOc2ccccc2)c1OC(=O)n1nccc1C
InChIInChI=1S/C19H22N4O3/c1-4-17-15(3)21-22(12-13-25-16-8-6-5-7-9-16)18(17)26-19(24)23-14(2)10-11-20-23/h5-11H,4,12-13H2,1-3H3
InChIKeyOFMWPGOFEUEELH-UHFFFAOYSA-N
XLogP3.38
TPSA71.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-ethyl-3-methyl-1-(2-phenoxyethyl)pyrazol-5-yl] 5-methylpyrazole-1-carboxylate?
The IUPAC name of [4-ethyl-3-methyl-1-(2-phenoxyethyl)pyrazol-5-yl] 5-methylpyrazole-1-carboxylate (CID 70620996) is [4-ethyl-3-methyl-1-(2-phenoxyethyl)pyrazol-5-yl] 5-methylpyrazole-1-carboxylate.
What is the SMILES notation for [4-ethyl-3-methyl-1-(2-phenoxyethyl)pyrazol-5-yl] 5-methylpyrazole-1-carboxylate?
The canonical SMILES for [4-ethyl-3-methyl-1-(2-phenoxyethyl)pyrazol-5-yl] 5-methylpyrazole-1-carboxylate is CCc1c(C)nn(CCOc2ccccc2)c1OC(=O)n1nccc1C.
What is the InChIKey of [4-ethyl-3-methyl-1-(2-phenoxyethyl)pyrazol-5-yl] 5-methylpyrazole-1-carboxylate?
The InChIKey is OFMWPGOFEUEELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-4-17-15(3)21-22(12-13-25-16-8-6-5-7-9-16)18(17)26-19(24)23-14(2)10-11-20-23/h5-11H,4,12-13H2,1-3H3.
What are the key properties of [4-ethyl-3-methyl-1-(2-phenoxyethyl)pyrazol-5-yl] 5-methylpyrazole-1-carboxylate?
[4-ethyl-3-methyl-1-(2-phenoxyethyl)pyrazol-5-yl] 5-methylpyrazole-1-carboxylate has a molecular weight of 354.41 g/mol, XLogP of 3.38, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethyl-3-methyl-1-(2-phenoxyethyl)pyrazol-5-yl] 5-methylpyrazole-1-carboxylate is sourced from PubChem (CID 70620996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).