(1-methylpyrazol-4-yl)methyl 2-(4-chloro-2-methylphenoxy)acetate

C14H15ClN2O3 — CID 78797837

IUPAC(1-methylpyrazol-4-yl)methyl 2-(4-chloro-2-methylphenoxy)acetate
SMILESCc1cc(Cl)ccc1OCC(=O)OCc1cnn(C)c1
InChIInChI=1S/C14H15ClN2O3/c1-10-5-12(15)3-4-13(10)19-9-14(18)20-8-11-6-16-17(2)7-11/h3-7H,8-9H2,1-2H3
InChIKeyMCZREPJSIFQTIH-UHFFFAOYSA-N
MW294.74 g/mol
LogP2.50
Rot. Bonds5

About (1-methylpyrazol-4-yl)methyl 2-(4-chloro-2-methylphenoxy)acetate

(1-methylpyrazol-4-yl)methyl 2-(4-chloro-2-methylphenoxy)acetate (PubChem CID 78797837) has the molecular formula C14H15ClN2O3 and a molecular weight of 294.74 g/mol. Its IUPAC name is (1-methylpyrazol-4-yl)methyl 2-(4-chloro-2-methylphenoxy)acetate.

Molecular Properties

Compound Name(1-methylpyrazol-4-yl)methyl 2-(4-chloro-2-methylphenoxy)acetate
PubChem CID78797837
Molecular FormulaC14H15ClN2O3
Molecular Weight294.74 g/mol
Exact Mass294.08
IUPAC Name(1-methylpyrazol-4-yl)methyl 2-(4-chloro-2-methylphenoxy)acetate
SMILESCc1cc(Cl)ccc1OCC(=O)OCc1cnn(C)c1
InChIInChI=1S/C14H15ClN2O3/c1-10-5-12(15)3-4-13(10)19-9-14(18)20-8-11-6-16-17(2)7-11/h3-7H,8-9H2,1-2H3
InChIKeyMCZREPJSIFQTIH-UHFFFAOYSA-N
XLogP2.50
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(4-chloro-2-methylphenoxy)acetate
CID 17603
2-(4-chloro-2-methylphenoxy)-N-(1-methylpyrazol-4-yl)acetamide
CID 31921139
acetyl 2-(4-chloro-2-methylphenoxy)acetate
CID 175377307
[2-(methylcarbamoylamino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate
CID 8021109
(5-acetyl-2-methoxyphenyl)methyl 2-(4-chloro-2-methylphenoxy)acetate
CID 7779381
tridecyl 2-(4-chloro-2-methylphenoxy)acetate
CID 91744367
4-chloro-2-[(1-methylpyrazol-4-yl)methoxy]benzenecarbothioamide
CID 113277368
1-(4-chloro-2-methylphenoxy)-3-methylbutan-2-one
CID 79396132
(2-phenyl-1,3-oxazol-4-yl)methyl 2-(4-chloro-2-methylphenoxy)acetate
CID 31711430
(4-chloro-2-methylphenyl) 2-(2-methylphenoxy)acetate
CID 19172654
(1-oxo-2,6,7-trioxa-1λ5-phosphabicyclo[2.2.2]octan-4-yl)methyl 2-(4-chloro-2-methylphenoxy)acetate
CID 89434300
2-(4-chloro-2-methylphenoxy)-1-cyclopropylethanone
CID 63906456

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrazol-4-yl)methyl 2-(4-chloro-2-methylphenoxy)acetate?
The IUPAC name of (1-methylpyrazol-4-yl)methyl 2-(4-chloro-2-methylphenoxy)acetate (CID 78797837) is (1-methylpyrazol-4-yl)methyl 2-(4-chloro-2-methylphenoxy)acetate.
What is the SMILES notation for (1-methylpyrazol-4-yl)methyl 2-(4-chloro-2-methylphenoxy)acetate?
The canonical SMILES for (1-methylpyrazol-4-yl)methyl 2-(4-chloro-2-methylphenoxy)acetate is Cc1cc(Cl)ccc1OCC(=O)OCc1cnn(C)c1.
What is the InChIKey of (1-methylpyrazol-4-yl)methyl 2-(4-chloro-2-methylphenoxy)acetate?
The InChIKey is MCZREPJSIFQTIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O3/c1-10-5-12(15)3-4-13(10)19-9-14(18)20-8-11-6-16-17(2)7-11/h3-7H,8-9H2,1-2H3.
What are the key properties of (1-methylpyrazol-4-yl)methyl 2-(4-chloro-2-methylphenoxy)acetate?
(1-methylpyrazol-4-yl)methyl 2-(4-chloro-2-methylphenoxy)acetate has a molecular weight of 294.74 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrazol-4-yl)methyl 2-(4-chloro-2-methylphenoxy)acetate is sourced from PubChem (CID 78797837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).