ethyl 2-(4-chloro-5-methyl-3-phenylpyrazol-1-yl)acetate

C14H15ClN2O2 — CID 59813948

IUPACethyl 2-(4-chloro-5-methyl-3-phenylpyrazol-1-yl)acetate
SMILESCCOC(=O)Cn1nc(-c2ccccc2)c(Cl)c1C
InChIInChI=1S/C14H15ClN2O2/c1-3-19-12(18)9-17-10(2)13(15)14(16-17)11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3
InChIKeyTZWYKSRLNQJGQZ-UHFFFAOYSA-N
MW278.74 g/mol
LogP3.08
Rot. Bonds4

About ethyl 2-(4-chloro-5-methyl-3-phenylpyrazol-1-yl)acetate

ethyl 2-(4-chloro-5-methyl-3-phenylpyrazol-1-yl)acetate (PubChem CID 59813948) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is ethyl 2-(4-chloro-5-methyl-3-phenylpyrazol-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(4-chloro-5-methyl-3-phenylpyrazol-1-yl)acetate
PubChem CID59813948
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Nameethyl 2-(4-chloro-5-methyl-3-phenylpyrazol-1-yl)acetate
SMILESCCOC(=O)Cn1nc(-c2ccccc2)c(Cl)c1C
InChIInChI=1S/C14H15ClN2O2/c1-3-19-12(18)9-17-10(2)13(15)14(16-17)11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3
InChIKeyTZWYKSRLNQJGQZ-UHFFFAOYSA-N
XLogP3.08
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-chloro-5-methyl-3-phenylpyrazol-1-yl)acetate?
The IUPAC name of ethyl 2-(4-chloro-5-methyl-3-phenylpyrazol-1-yl)acetate (CID 59813948) is ethyl 2-(4-chloro-5-methyl-3-phenylpyrazol-1-yl)acetate.
What is the SMILES notation for ethyl 2-(4-chloro-5-methyl-3-phenylpyrazol-1-yl)acetate?
The canonical SMILES for ethyl 2-(4-chloro-5-methyl-3-phenylpyrazol-1-yl)acetate is CCOC(=O)Cn1nc(-c2ccccc2)c(Cl)c1C.
What is the InChIKey of ethyl 2-(4-chloro-5-methyl-3-phenylpyrazol-1-yl)acetate?
The InChIKey is TZWYKSRLNQJGQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c1-3-19-12(18)9-17-10(2)13(15)14(16-17)11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3.
What are the key properties of ethyl 2-(4-chloro-5-methyl-3-phenylpyrazol-1-yl)acetate?
ethyl 2-(4-chloro-5-methyl-3-phenylpyrazol-1-yl)acetate has a molecular weight of 278.74 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-chloro-5-methyl-3-phenylpyrazol-1-yl)acetate is sourced from PubChem (CID 59813948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).