4-methylpentan-2-yl 2-(3-aminopyrazol-1-yl)acetate

C11H19N3O2 — CID 62111915

IUPAC4-methylpentan-2-yl 2-(3-aminopyrazol-1-yl)acetate
SMILESCC(C)CC(C)OC(=O)Cn1ccc(N)n1
InChIInChI=1S/C11H19N3O2/c1-8(2)6-9(3)16-11(15)7-14-5-4-10(12)13-14/h4-5,8-9H,6-7H2,1-3H3,(H2,12,13)
InChIKeyXOPSBQMFDOTWJD-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.44
Rot. Bonds5

About 4-methylpentan-2-yl 2-(3-aminopyrazol-1-yl)acetate

4-methylpentan-2-yl 2-(3-aminopyrazol-1-yl)acetate (PubChem CID 62111915) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 4-methylpentan-2-yl 2-(3-aminopyrazol-1-yl)acetate.

Molecular Properties

Compound Name4-methylpentan-2-yl 2-(3-aminopyrazol-1-yl)acetate
PubChem CID62111915
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name4-methylpentan-2-yl 2-(3-aminopyrazol-1-yl)acetate
SMILESCC(C)CC(C)OC(=O)Cn1ccc(N)n1
InChIInChI=1S/C11H19N3O2/c1-8(2)6-9(3)16-11(15)7-14-5-4-10(12)13-14/h4-5,8-9H,6-7H2,1-3H3,(H2,12,13)
InChIKeyXOPSBQMFDOTWJD-UHFFFAOYSA-N
XLogP1.44
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methylpentan-2-yl 2-(3-aminopyrazol-1-yl)acetate?
The IUPAC name of 4-methylpentan-2-yl 2-(3-aminopyrazol-1-yl)acetate (CID 62111915) is 4-methylpentan-2-yl 2-(3-aminopyrazol-1-yl)acetate.
What is the SMILES notation for 4-methylpentan-2-yl 2-(3-aminopyrazol-1-yl)acetate?
The canonical SMILES for 4-methylpentan-2-yl 2-(3-aminopyrazol-1-yl)acetate is CC(C)CC(C)OC(=O)Cn1ccc(N)n1.
What is the InChIKey of 4-methylpentan-2-yl 2-(3-aminopyrazol-1-yl)acetate?
The InChIKey is XOPSBQMFDOTWJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-8(2)6-9(3)16-11(15)7-14-5-4-10(12)13-14/h4-5,8-9H,6-7H2,1-3H3,(H2,12,13).
What are the key properties of 4-methylpentan-2-yl 2-(3-aminopyrazol-1-yl)acetate?
4-methylpentan-2-yl 2-(3-aminopyrazol-1-yl)acetate has a molecular weight of 225.29 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpentan-2-yl 2-(3-aminopyrazol-1-yl)acetate is sourced from PubChem (CID 62111915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).