(4-pyrazol-1-ylphenyl)methyl 2-(2-methoxy-4-methylphenoxy)acetate

C20H20N2O4 — CID 39605576

IUPAC(4-pyrazol-1-ylphenyl)methyl 2-(2-methoxy-4-methylphenoxy)acetate
SMILESCOc1cc(C)ccc1OCC(=O)OCc1ccc(-n2cccn2)cc1
InChIInChI=1S/C20H20N2O4/c1-15-4-9-18(19(12-15)24-2)25-14-20(23)26-13-16-5-7-17(8-6-16)22-11-3-10-21-22/h3-12H,13-14H2,1-2H3
InChIKeyDTXAEKGYMYAVTC-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.31
Rot. Bonds7

About (4-pyrazol-1-ylphenyl)methyl 2-(2-methoxy-4-methylphenoxy)acetate

(4-pyrazol-1-ylphenyl)methyl 2-(2-methoxy-4-methylphenoxy)acetate (PubChem CID 39605576) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is (4-pyrazol-1-ylphenyl)methyl 2-(2-methoxy-4-methylphenoxy)acetate.

Molecular Properties

Compound Name(4-pyrazol-1-ylphenyl)methyl 2-(2-methoxy-4-methylphenoxy)acetate
PubChem CID39605576
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name(4-pyrazol-1-ylphenyl)methyl 2-(2-methoxy-4-methylphenoxy)acetate
SMILESCOc1cc(C)ccc1OCC(=O)OCc1ccc(-n2cccn2)cc1
InChIInChI=1S/C20H20N2O4/c1-15-4-9-18(19(12-15)24-2)25-14-20(23)26-13-16-5-7-17(8-6-16)22-11-3-10-21-22/h3-12H,13-14H2,1-2H3
InChIKeyDTXAEKGYMYAVTC-UHFFFAOYSA-N
XLogP3.31
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-pyrazol-1-ylphenyl)methyl 2-(4-acetyl-2-methoxyphenoxy)acetate
CID 16571324
(4-pyrazol-1-ylphenyl)methyl 2-(4-acetylphenoxy)acetate
CID 16571292
3-methoxy-4-[(4-pyrazol-1-ylphenyl)methoxy]benzonitrile
CID 17499743
(4-pyrazol-1-ylphenyl)methyl 4-ethoxy-5-methoxy-2-nitrobenzoate
CID 40765016
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(2-methoxy-4-methylphenoxy)acetate
CID 3374878
2-(2-methoxy-4-methylphenoxy)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]acetamide
CID 90538738
(4-pyrazol-1-ylphenyl)methyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 16571120
ethyl 1-phenyl-4-[(4-pyrazol-1-ylphenyl)methoxy]pyrazole-3-carboxylate
CID 56528108
2-[2-[(4-pyrazol-1-ylphenyl)methoxy]phenyl]acetamide
CID 75390964
(4-pyrazol-1-ylphenyl)methyl 4-(3,5-dimethylpyrazol-1-yl)benzoate
CID 27831699
(4-pyrazol-1-ylphenyl)methyl 2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetate
CID 16571314
2-(2-methoxy-4-methylphenoxy)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 31953409

Frequently Asked Questions

What is the IUPAC name of (4-pyrazol-1-ylphenyl)methyl 2-(2-methoxy-4-methylphenoxy)acetate?
The IUPAC name of (4-pyrazol-1-ylphenyl)methyl 2-(2-methoxy-4-methylphenoxy)acetate (CID 39605576) is (4-pyrazol-1-ylphenyl)methyl 2-(2-methoxy-4-methylphenoxy)acetate.
What is the SMILES notation for (4-pyrazol-1-ylphenyl)methyl 2-(2-methoxy-4-methylphenoxy)acetate?
The canonical SMILES for (4-pyrazol-1-ylphenyl)methyl 2-(2-methoxy-4-methylphenoxy)acetate is COc1cc(C)ccc1OCC(=O)OCc1ccc(-n2cccn2)cc1.
What is the InChIKey of (4-pyrazol-1-ylphenyl)methyl 2-(2-methoxy-4-methylphenoxy)acetate?
The InChIKey is DTXAEKGYMYAVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-15-4-9-18(19(12-15)24-2)25-14-20(23)26-13-16-5-7-17(8-6-16)22-11-3-10-21-22/h3-12H,13-14H2,1-2H3.
What are the key properties of (4-pyrazol-1-ylphenyl)methyl 2-(2-methoxy-4-methylphenoxy)acetate?
(4-pyrazol-1-ylphenyl)methyl 2-(2-methoxy-4-methylphenoxy)acetate has a molecular weight of 352.39 g/mol, XLogP of 3.31, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pyrazol-1-ylphenyl)methyl 2-(2-methoxy-4-methylphenoxy)acetate is sourced from PubChem (CID 39605576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).