(1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 2-(4-aminopyrazol-1-yl)acetate

C12H18N4O3 — CID 61315416

IUPAC(1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 2-(4-aminopyrazol-1-yl)acetate
SMILESCC(OC(=O)Cn1cc(N)cn1)C(=O)N1CCCC1
InChIInChI=1S/C12H18N4O3/c1-9(12(18)15-4-2-3-5-15)19-11(17)8-16-7-10(13)6-14-16/h6-7,9H,2-5,8,13H2,1H3
InChIKeyDUCRHAURNJNKSA-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.02
Rot. Bonds4

About (1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 2-(4-aminopyrazol-1-yl)acetate

(1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 2-(4-aminopyrazol-1-yl)acetate (PubChem CID 61315416) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is (1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 2-(4-aminopyrazol-1-yl)acetate.

Molecular Properties

Compound Name(1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 2-(4-aminopyrazol-1-yl)acetate
PubChem CID61315416
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name(1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 2-(4-aminopyrazol-1-yl)acetate
SMILESCC(OC(=O)Cn1cc(N)cn1)C(=O)N1CCCC1
InChIInChI=1S/C12H18N4O3/c1-9(12(18)15-4-2-3-5-15)19-11(17)8-16-7-10(13)6-14-16/h6-7,9H,2-5,8,13H2,1H3
InChIKeyDUCRHAURNJNKSA-UHFFFAOYSA-N
XLogP0.02
TPSA90.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(1-oxo-1-piperidin-1-ylpropan-2-yl) 2-(3-amino-1,2,4-triazol-1-yl)acetate
CID 61315506
(1-oxo-1-piperidin-1-ylpropan-2-yl) 2-(3-aminopyrazol-1-yl)acetate
CID 62112249
(2-oxo-2-piperidin-1-ylethyl) 2-(4-aminopyrazol-1-yl)acetate
CID 61315409
2-(4-aminopyrazol-1-yl)-1-piperidin-1-ylpropan-1-one
CID 43116728
2-(4-aminopyrazol-1-yl)-N-(2-piperidin-1-ylpropyl)acetamide
CID 61139051
(4-propan-2-ylmorpholin-2-yl)methyl 2-(4-aminopyrazol-1-yl)acetate
CID 64533747
2-(4-aminopyrazol-1-yl)-1-(3-methoxypiperidin-1-yl)ethanone
CID 102955084
(4-propan-2-ylphenyl)methyl 2-(4-aminopyrazol-1-yl)acetate
CID 61316942
2-(4-aminopyrazol-1-yl)-N-(2-methylpropyl)acetamide
CID 43185729
2-methylsulfonylethyl 2-(4-aminopyrazol-1-yl)acetate
CID 61315217
2-(4-aminopyrazol-1-yl)-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone
CID 43590005
2-(4-aminopyrazol-1-yl)-N-[(2R)-1-hydroxypropan-2-yl]acetamide
CID 93081118

Frequently Asked Questions

What is the IUPAC name of (1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 2-(4-aminopyrazol-1-yl)acetate?
The IUPAC name of (1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 2-(4-aminopyrazol-1-yl)acetate (CID 61315416) is (1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 2-(4-aminopyrazol-1-yl)acetate.
What is the SMILES notation for (1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 2-(4-aminopyrazol-1-yl)acetate?
The canonical SMILES for (1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 2-(4-aminopyrazol-1-yl)acetate is CC(OC(=O)Cn1cc(N)cn1)C(=O)N1CCCC1.
What is the InChIKey of (1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 2-(4-aminopyrazol-1-yl)acetate?
The InChIKey is DUCRHAURNJNKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-9(12(18)15-4-2-3-5-15)19-11(17)8-16-7-10(13)6-14-16/h6-7,9H,2-5,8,13H2,1H3.
What are the key properties of (1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 2-(4-aminopyrazol-1-yl)acetate?
(1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 2-(4-aminopyrazol-1-yl)acetate has a molecular weight of 266.30 g/mol, XLogP of 0.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 2-(4-aminopyrazol-1-yl)acetate is sourced from PubChem (CID 61315416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).