(4-methoxyphenyl)methyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate

C15H19N3O3 — CID 61309101

IUPAC(4-methoxyphenyl)methyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate
SMILESCOc1ccc(COC(=O)Cn2nc(C)c(N)c2C)cc1
InChIInChI=1S/C15H19N3O3/c1-10-15(16)11(2)18(17-10)8-14(19)21-9-12-4-6-13(20-3)7-5-12/h4-7H,8-9,16H2,1-3H3
InChIKeyVXAQUERACLFYHT-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.83
Rot. Bonds5

About (4-methoxyphenyl)methyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate

(4-methoxyphenyl)methyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate (PubChem CID 61309101) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is (4-methoxyphenyl)methyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate.

Molecular Properties

Compound Name(4-methoxyphenyl)methyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate
PubChem CID61309101
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Name(4-methoxyphenyl)methyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate
SMILESCOc1ccc(COC(=O)Cn2nc(C)c(N)c2C)cc1
InChIInChI=1S/C15H19N3O3/c1-10-15(16)11(2)18(17-10)8-14(19)21-9-12-4-6-13(20-3)7-5-12/h4-7H,8-9,16H2,1-3H3
InChIKeyVXAQUERACLFYHT-UHFFFAOYSA-N
XLogP1.83
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)methyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate?
The IUPAC name of (4-methoxyphenyl)methyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate (CID 61309101) is (4-methoxyphenyl)methyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate.
What is the SMILES notation for (4-methoxyphenyl)methyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate?
The canonical SMILES for (4-methoxyphenyl)methyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate is COc1ccc(COC(=O)Cn2nc(C)c(N)c2C)cc1.
What is the InChIKey of (4-methoxyphenyl)methyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate?
The InChIKey is VXAQUERACLFYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-10-15(16)11(2)18(17-10)8-14(19)21-9-12-4-6-13(20-3)7-5-12/h4-7H,8-9,16H2,1-3H3.
What are the key properties of (4-methoxyphenyl)methyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate?
(4-methoxyphenyl)methyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate has a molecular weight of 289.34 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)methyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate is sourced from PubChem (CID 61309101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).