(2,4,6-trimethylphenyl)methyl 2-(4-aminopyrazol-1-yl)acetate

C15H19N3O2 — CID 62548645

IUPAC(2,4,6-trimethylphenyl)methyl 2-(4-aminopyrazol-1-yl)acetate
SMILESCc1cc(C)c(COC(=O)Cn2cc(N)cn2)c(C)c1
InChIInChI=1S/C15H19N3O2/c1-10-4-11(2)14(12(3)5-10)9-20-15(19)8-18-7-13(16)6-17-18/h4-7H,8-9,16H2,1-3H3
InChIKeyZQAWLRAKYOCHJM-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.13
Rot. Bonds4

About (2,4,6-trimethylphenyl)methyl 2-(4-aminopyrazol-1-yl)acetate

(2,4,6-trimethylphenyl)methyl 2-(4-aminopyrazol-1-yl)acetate (PubChem CID 62548645) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is (2,4,6-trimethylphenyl)methyl 2-(4-aminopyrazol-1-yl)acetate.

Molecular Properties

Compound Name(2,4,6-trimethylphenyl)methyl 2-(4-aminopyrazol-1-yl)acetate
PubChem CID62548645
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name(2,4,6-trimethylphenyl)methyl 2-(4-aminopyrazol-1-yl)acetate
SMILESCc1cc(C)c(COC(=O)Cn2cc(N)cn2)c(C)c1
InChIInChI=1S/C15H19N3O2/c1-10-4-11(2)14(12(3)5-10)9-20-15(19)8-18-7-13(16)6-17-18/h4-7H,8-9,16H2,1-3H3
InChIKeyZQAWLRAKYOCHJM-UHFFFAOYSA-N
XLogP2.13
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methoxyphenyl)methyl 2-(4-aminopyrazol-1-yl)acetate
CID 61285978
(4-propan-2-ylphenyl)methyl 2-(4-aminopyrazol-1-yl)acetate
CID 61316942
(5-fluoro-3-pyridinyl)methyl 2-(4-aminopyrazol-1-yl)acetate
CID 114084635
2-methylsulfonylethyl 2-(4-aminopyrazol-1-yl)acetate
CID 61315217
2-[2-[[2-(4-aminopyrazol-1-yl)acetyl]oxymethyl]phenyl]acetic acid
CID 115463289
(2-bromo-5-methoxyphenyl)methyl 2-(4-aminopyrazol-1-yl)acetate
CID 65326849
[3-(methylamino)-3-oxopropyl] 2-(4-aminopyrazol-1-yl)acetate
CID 62325201
nonyl 2-(4-aminopyrazol-1-yl)acetate
CID 61315598
(5-bromothiophen-2-yl)methyl 2-(4-aminopyrazol-1-yl)acetate
CID 61317134
(3-cyano-4-methoxyphenyl)methyl 2-(4-aminopyrazol-1-yl)acetate
CID 65339738
benzyl 2-(4-methylpyrazol-1-yl)acetate
CID 121256178
2-(2-methylimidazol-1-yl)ethyl 2-(4-aminopyrazol-1-yl)acetate
CID 54961563

Frequently Asked Questions

What is the IUPAC name of (2,4,6-trimethylphenyl)methyl 2-(4-aminopyrazol-1-yl)acetate?
The IUPAC name of (2,4,6-trimethylphenyl)methyl 2-(4-aminopyrazol-1-yl)acetate (CID 62548645) is (2,4,6-trimethylphenyl)methyl 2-(4-aminopyrazol-1-yl)acetate.
What is the SMILES notation for (2,4,6-trimethylphenyl)methyl 2-(4-aminopyrazol-1-yl)acetate?
The canonical SMILES for (2,4,6-trimethylphenyl)methyl 2-(4-aminopyrazol-1-yl)acetate is Cc1cc(C)c(COC(=O)Cn2cc(N)cn2)c(C)c1.
What is the InChIKey of (2,4,6-trimethylphenyl)methyl 2-(4-aminopyrazol-1-yl)acetate?
The InChIKey is ZQAWLRAKYOCHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-10-4-11(2)14(12(3)5-10)9-20-15(19)8-18-7-13(16)6-17-18/h4-7H,8-9,16H2,1-3H3.
What are the key properties of (2,4,6-trimethylphenyl)methyl 2-(4-aminopyrazol-1-yl)acetate?
(2,4,6-trimethylphenyl)methyl 2-(4-aminopyrazol-1-yl)acetate has a molecular weight of 273.34 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4,6-trimethylphenyl)methyl 2-(4-aminopyrazol-1-yl)acetate is sourced from PubChem (CID 62548645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).