[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl 4-methoxybenzoate

C20H20N2O3 — CID 60600774

IUPAC[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl 4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCc2ccc(-n3nc(C)cc3C)cc2)cc1
InChIInChI=1S/C20H20N2O3/c1-14-12-15(2)22(21-14)18-8-4-16(5-9-18)13-25-20(23)17-6-10-19(24-3)11-7-17/h4-12H,13H2,1-3H3
InChIKeyALRQWCDPWJFQMF-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.85
Rot. Bonds5

About [4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl 4-methoxybenzoate

[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl 4-methoxybenzoate (PubChem CID 60600774) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is [4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl 4-methoxybenzoate.

Molecular Properties

Compound Name[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl 4-methoxybenzoate
PubChem CID60600774
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl 4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCc2ccc(-n3nc(C)cc3C)cc2)cc1
InChIInChI=1S/C20H20N2O3/c1-14-12-15(2)22(21-14)18-8-4-16(5-9-18)13-25-20(23)17-6-10-19(24-3)11-7-17/h4-12H,13H2,1-3H3
InChIKeyALRQWCDPWJFQMF-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

(3-methoxyphenyl)methyl 4-(3,5-dimethylpyrazol-1-yl)benzoate
CID 16569914
benzyl 4-(3,5-dimethylpyrazol-1-yl)benzoate
CID 799986
(4-pyrazol-1-ylphenyl)methyl 4-(3,5-dimethylpyrazol-1-yl)benzoate
CID 27831699
(6-methoxynaphthalen-2-yl)methyl 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate
CID 55670712
(7-methoxy-2-oxochromen-4-yl)methyl 4-(3,5-dimethylpyrazol-1-yl)benzoate
CID 4802061
prop-2-enyl 4-(3,5-dimethylpyrazol-1-yl)benzoate
CID 50887443
(4-methoxycarbonylphenyl)methyl 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate
CID 55704944
4-(3,5-dimethylpyrazol-1-yl)-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylbenzamide
CID 55918590
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate
CID 2588523
[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl 3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate
CID 43067948
(4-methoxyphenyl)methyl 4-(4-hydroxyphenyl)benzoate
CID 16577371
2-amino-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethanone
CID 83823762

Frequently Asked Questions

What is the IUPAC name of [4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl 4-methoxybenzoate?
The IUPAC name of [4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl 4-methoxybenzoate (CID 60600774) is [4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl 4-methoxybenzoate.
What is the SMILES notation for [4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl 4-methoxybenzoate?
The canonical SMILES for [4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl 4-methoxybenzoate is COc1ccc(C(=O)OCc2ccc(-n3nc(C)cc3C)cc2)cc1.
What is the InChIKey of [4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl 4-methoxybenzoate?
The InChIKey is ALRQWCDPWJFQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-14-12-15(2)22(21-14)18-8-4-16(5-9-18)13-25-20(23)17-6-10-19(24-3)11-7-17/h4-12H,13H2,1-3H3.
What are the key properties of [4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl 4-methoxybenzoate?
[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl 4-methoxybenzoate 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 [4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl 4-methoxybenzoate is sourced from PubChem (CID 60600774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).