(4-propan-2-ylphenyl)methyl 2-(4-aminopyrazol-1-yl)acetate

C15H19N3O2 — CID 61316942

IUPAC(4-propan-2-ylphenyl)methyl 2-(4-aminopyrazol-1-yl)acetate
SMILESCC(C)c1ccc(COC(=O)Cn2cc(N)cn2)cc1
InChIInChI=1S/C15H19N3O2/c1-11(2)13-5-3-12(4-6-13)10-20-15(19)9-18-8-14(16)7-17-18/h3-8,11H,9-10,16H2,1-2H3
InChIKeyOQJITCCRHKFNEU-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.33
Rot. Bonds5

About (4-propan-2-ylphenyl)methyl 2-(4-aminopyrazol-1-yl)acetate

(4-propan-2-ylphenyl)methyl 2-(4-aminopyrazol-1-yl)acetate (PubChem CID 61316942) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is (4-propan-2-ylphenyl)methyl 2-(4-aminopyrazol-1-yl)acetate.

Molecular Properties

Compound Name(4-propan-2-ylphenyl)methyl 2-(4-aminopyrazol-1-yl)acetate
PubChem CID61316942
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name(4-propan-2-ylphenyl)methyl 2-(4-aminopyrazol-1-yl)acetate
SMILESCC(C)c1ccc(COC(=O)Cn2cc(N)cn2)cc1
InChIInChI=1S/C15H19N3O2/c1-11(2)13-5-3-12(4-6-13)10-20-15(19)9-18-8-14(16)7-17-18/h3-8,11H,9-10,16H2,1-2H3
InChIKeyOQJITCCRHKFNEU-UHFFFAOYSA-N
XLogP2.33
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-propan-2-ylphenyl)methyl 2-(4-aminopyrazol-1-yl)acetate?
The IUPAC name of (4-propan-2-ylphenyl)methyl 2-(4-aminopyrazol-1-yl)acetate (CID 61316942) is (4-propan-2-ylphenyl)methyl 2-(4-aminopyrazol-1-yl)acetate.
What is the SMILES notation for (4-propan-2-ylphenyl)methyl 2-(4-aminopyrazol-1-yl)acetate?
The canonical SMILES for (4-propan-2-ylphenyl)methyl 2-(4-aminopyrazol-1-yl)acetate is CC(C)c1ccc(COC(=O)Cn2cc(N)cn2)cc1.
What is the InChIKey of (4-propan-2-ylphenyl)methyl 2-(4-aminopyrazol-1-yl)acetate?
The InChIKey is OQJITCCRHKFNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-11(2)13-5-3-12(4-6-13)10-20-15(19)9-18-8-14(16)7-17-18/h3-8,11H,9-10,16H2,1-2H3.
What are the key properties of (4-propan-2-ylphenyl)methyl 2-(4-aminopyrazol-1-yl)acetate?
(4-propan-2-ylphenyl)methyl 2-(4-aminopyrazol-1-yl)acetate has a molecular weight of 273.34 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-ylphenyl)methyl 2-(4-aminopyrazol-1-yl)acetate is sourced from PubChem (CID 61316942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).