(3-methoxyphenyl)methyl 4-(3,5-dimethylpyrazol-1-yl)benzoate

C20H20N2O3 — CID 16569914

IUPAC(3-methoxyphenyl)methyl 4-(3,5-dimethylpyrazol-1-yl)benzoate
SMILESCOc1cccc(COC(=O)c2ccc(-n3nc(C)cc3C)cc2)c1
InChIInChI=1S/C20H20N2O3/c1-14-11-15(2)22(21-14)18-9-7-17(8-10-18)20(23)25-13-16-5-4-6-19(12-16)24-3/h4-12H,13H2,1-3H3
InChIKeyDOHQSYVZMJDZPI-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.85
Rot. Bonds5

About (3-methoxyphenyl)methyl 4-(3,5-dimethylpyrazol-1-yl)benzoate

(3-methoxyphenyl)methyl 4-(3,5-dimethylpyrazol-1-yl)benzoate (PubChem CID 16569914) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is (3-methoxyphenyl)methyl 4-(3,5-dimethylpyrazol-1-yl)benzoate.

Molecular Properties

Compound Name(3-methoxyphenyl)methyl 4-(3,5-dimethylpyrazol-1-yl)benzoate
PubChem CID16569914
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name(3-methoxyphenyl)methyl 4-(3,5-dimethylpyrazol-1-yl)benzoate
SMILESCOc1cccc(COC(=O)c2ccc(-n3nc(C)cc3C)cc2)c1
InChIInChI=1S/C20H20N2O3/c1-14-11-15(2)22(21-14)18-9-7-17(8-10-18)20(23)25-13-16-5-4-6-19(12-16)24-3/h4-12H,13H2,1-3H3
InChIKeyDOHQSYVZMJDZPI-UHFFFAOYSA-N
XLogP3.85
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl 4-methoxybenzoate
CID 60600774
benzyl 4-(3,5-dimethylpyrazol-1-yl)benzoate
CID 799986
(4-pyrazol-1-ylphenyl)methyl 4-(3,5-dimethylpyrazol-1-yl)benzoate
CID 27831699
(7-methoxy-2-oxochromen-4-yl)methyl 4-(3,5-dimethylpyrazol-1-yl)benzoate
CID 4802061
(6-methoxynaphthalen-2-yl)methyl 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate
CID 55670712
prop-2-enyl 4-(3,5-dimethylpyrazol-1-yl)benzoate
CID 50887443
(3-methoxyphenyl)methyl 3-amino-4-methylbenzoate
CID 60730922
[2-(benzylamino)-2-oxoethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate
CID 2588629
4-(3,5-dimethylpyrazol-1-yl)-N-[[3-(2-methoxyethoxy)phenyl]methyl]benzamide
CID 55801026
(3-methoxyphenyl)methyl 4-(methylsulfonylmethyl)benzoate
CID 42404752
(3-chlorophenyl)methyl 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate
CID 46428242
ethyl 3-(3,5-dimethylpyrazol-1-yl)benzoate
CID 50883494

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)methyl 4-(3,5-dimethylpyrazol-1-yl)benzoate?
The IUPAC name of (3-methoxyphenyl)methyl 4-(3,5-dimethylpyrazol-1-yl)benzoate (CID 16569914) is (3-methoxyphenyl)methyl 4-(3,5-dimethylpyrazol-1-yl)benzoate.
What is the SMILES notation for (3-methoxyphenyl)methyl 4-(3,5-dimethylpyrazol-1-yl)benzoate?
The canonical SMILES for (3-methoxyphenyl)methyl 4-(3,5-dimethylpyrazol-1-yl)benzoate is COc1cccc(COC(=O)c2ccc(-n3nc(C)cc3C)cc2)c1.
What is the InChIKey of (3-methoxyphenyl)methyl 4-(3,5-dimethylpyrazol-1-yl)benzoate?
The InChIKey is DOHQSYVZMJDZPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-14-11-15(2)22(21-14)18-9-7-17(8-10-18)20(23)25-13-16-5-4-6-19(12-16)24-3/h4-12H,13H2,1-3H3.
What are the key properties of (3-methoxyphenyl)methyl 4-(3,5-dimethylpyrazol-1-yl)benzoate?
(3-methoxyphenyl)methyl 4-(3,5-dimethylpyrazol-1-yl)benzoate has a molecular weight of 336.39 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)methyl 4-(3,5-dimethylpyrazol-1-yl)benzoate is sourced from PubChem (CID 16569914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).