ethyl 2-[4-(4-cyano-3-methylphenoxy)-3-cyclopropyl-5-methylpyrazol-1-yl]acetate

C19H21N3O3 — CID 69258943

IUPACethyl 2-[4-(4-cyano-3-methylphenoxy)-3-cyclopropyl-5-methylpyrazol-1-yl]acetate
SMILESCCOC(=O)Cn1nc(C2CC2)c(Oc2ccc(C#N)c(C)c2)c1C
InChIInChI=1S/C19H21N3O3/c1-4-24-17(23)11-22-13(3)19(18(21-22)14-5-6-14)25-16-8-7-15(10-20)12(2)9-16/h7-9,14H,4-6,11H2,1-3H3
InChIKeyHGDAWRXVBQVVMG-UHFFFAOYSA-N
MW339.40 g/mol
LogP3.60
Rot. Bonds6

About ethyl 2-[4-(4-cyano-3-methylphenoxy)-3-cyclopropyl-5-methylpyrazol-1-yl]acetate

ethyl 2-[4-(4-cyano-3-methylphenoxy)-3-cyclopropyl-5-methylpyrazol-1-yl]acetate (PubChem CID 69258943) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is ethyl 2-[4-(4-cyano-3-methylphenoxy)-3-cyclopropyl-5-methylpyrazol-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-(4-cyano-3-methylphenoxy)-3-cyclopropyl-5-methylpyrazol-1-yl]acetate
PubChem CID69258943
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Nameethyl 2-[4-(4-cyano-3-methylphenoxy)-3-cyclopropyl-5-methylpyrazol-1-yl]acetate
SMILESCCOC(=O)Cn1nc(C2CC2)c(Oc2ccc(C#N)c(C)c2)c1C
InChIInChI=1S/C19H21N3O3/c1-4-24-17(23)11-22-13(3)19(18(21-22)14-5-6-14)25-16-8-7-15(10-20)12(2)9-16/h7-9,14H,4-6,11H2,1-3H3
InChIKeyHGDAWRXVBQVVMG-UHFFFAOYSA-N
XLogP3.60
TPSA77.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[4-(4-cyano-3,5-dimethylphenoxy)-3-cyclopropyl-5-methylpyrazol-1-yl]acetate
CID 71020571
ethyl 2-[4-(4-cyanophenoxy)-3-cyclopropyl-5-methylpyrazol-1-yl]acetate
CID 90995777
2-[4-(4-cyano-3-methylphenoxy)-3,5-dicyclopropylpyrazol-1-yl]acetic acid
CID 69257439
ethyl 4-(4-cyano-3,5-dimethylphenoxy)-3-cyclopropyl-1-methylpyrazole-5-carboxylate
CID 69174067
ethyl 2-[3-cyclopropyl-4-(2-hydroxyethyl)-5-methylpyrazol-1-yl]acetate
CID 71187256
ethyl 2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]acetate
CID 7017150
methyl 4-(3-chloro-4-cyanophenoxy)-3-cyclopropyl-1-methylsulfonylpyrazole-5-carboxylate
CID 159199467
2-[4-(4-cyano-3,5-dimethylphenoxy)-3-cyclopropyl-5-(hydroxymethyl)pyrazol-1-yl]propanamide
CID 90971058
ethyl 2-(3-cyclopropylpyrazol-1-yl)acetate
CID 25247560
ethyl 3-cyano-6-cyclopropylpyridine-2-carboxylate
CID 50853263
4-[(5-cyclopropyl-1H-pyrazol-4-yl)oxy]-2-methylbenzonitrile
CID 69173093
2-[4-(4-cyano-3-methylphenoxy)phenyl]acetic acid
CID 81276255

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(4-cyano-3-methylphenoxy)-3-cyclopropyl-5-methylpyrazol-1-yl]acetate?
The IUPAC name of ethyl 2-[4-(4-cyano-3-methylphenoxy)-3-cyclopropyl-5-methylpyrazol-1-yl]acetate (CID 69258943) is ethyl 2-[4-(4-cyano-3-methylphenoxy)-3-cyclopropyl-5-methylpyrazol-1-yl]acetate.
What is the SMILES notation for ethyl 2-[4-(4-cyano-3-methylphenoxy)-3-cyclopropyl-5-methylpyrazol-1-yl]acetate?
The canonical SMILES for ethyl 2-[4-(4-cyano-3-methylphenoxy)-3-cyclopropyl-5-methylpyrazol-1-yl]acetate is CCOC(=O)Cn1nc(C2CC2)c(Oc2ccc(C#N)c(C)c2)c1C.
What is the InChIKey of ethyl 2-[4-(4-cyano-3-methylphenoxy)-3-cyclopropyl-5-methylpyrazol-1-yl]acetate?
The InChIKey is HGDAWRXVBQVVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-4-24-17(23)11-22-13(3)19(18(21-22)14-5-6-14)25-16-8-7-15(10-20)12(2)9-16/h7-9,14H,4-6,11H2,1-3H3.
What are the key properties of ethyl 2-[4-(4-cyano-3-methylphenoxy)-3-cyclopropyl-5-methylpyrazol-1-yl]acetate?
ethyl 2-[4-(4-cyano-3-methylphenoxy)-3-cyclopropyl-5-methylpyrazol-1-yl]acetate has a molecular weight of 339.40 g/mol, XLogP of 3.60, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(4-cyano-3-methylphenoxy)-3-cyclopropyl-5-methylpyrazol-1-yl]acetate is sourced from PubChem (CID 69258943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).