(1-oxo-1-piperidin-1-ylpropan-2-yl) 4-amino-1,3-dimethylpyrazole-5-carboxylate

C14H22N4O3 — CID 66124225

IUPAC(1-oxo-1-piperidin-1-ylpropan-2-yl) 4-amino-1,3-dimethylpyrazole-5-carboxylate
SMILESCc1nn(C)c(C(=O)OC(C)C(=O)N2CCCCC2)c1N
InChIInChI=1S/C14H22N4O3/c1-9-11(15)12(17(3)16-9)14(20)21-10(2)13(19)18-7-5-4-6-8-18/h10H,4-8,15H2,1-3H3
InChIKeyAZXBRZWUMUHKFJ-UHFFFAOYSA-N
MW294.36 g/mol
LogP0.87
Rot. Bonds3

About (1-oxo-1-piperidin-1-ylpropan-2-yl) 4-amino-1,3-dimethylpyrazole-5-carboxylate

(1-oxo-1-piperidin-1-ylpropan-2-yl) 4-amino-1,3-dimethylpyrazole-5-carboxylate (PubChem CID 66124225) has the molecular formula C14H22N4O3 and a molecular weight of 294.36 g/mol. Its IUPAC name is (1-oxo-1-piperidin-1-ylpropan-2-yl) 4-amino-1,3-dimethylpyrazole-5-carboxylate.

Molecular Properties

Compound Name(1-oxo-1-piperidin-1-ylpropan-2-yl) 4-amino-1,3-dimethylpyrazole-5-carboxylate
PubChem CID66124225
Molecular FormulaC14H22N4O3
Molecular Weight294.36 g/mol
Exact Mass294.17
IUPAC Name(1-oxo-1-piperidin-1-ylpropan-2-yl) 4-amino-1,3-dimethylpyrazole-5-carboxylate
SMILESCc1nn(C)c(C(=O)OC(C)C(=O)N2CCCCC2)c1N
InChIInChI=1S/C14H22N4O3/c1-9-11(15)12(17(3)16-9)14(20)21-10(2)13(19)18-7-5-4-6-8-18/h10H,4-8,15H2,1-3H3
InChIKeyAZXBRZWUMUHKFJ-UHFFFAOYSA-N
XLogP0.87
TPSA90.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[1-oxo-1-(propylamino)propan-2-yl] 4-amino-1,3-dimethylpyrazole-5-carboxylate
CID 66125389
2-pyrrolidin-1-ylethyl 4-amino-1,3-dimethylpyrazole-5-carboxylate
CID 114015226
2,2-difluoroethyl 4-amino-1,3-dimethylpyrazole-5-carboxylate
CID 66125010
(1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 2-amino-3-methylbenzoate
CID 60730477
(1-oxo-1-piperidin-1-ylpropan-2-yl) 2-aminobenzoate
CID 61322981
1-cyanopropyl 4-amino-1,3-dimethylpyrazole-5-carboxylate
CID 66123847
(1-oxo-1-piperidin-1-ylpropan-2-yl) 4-amino-1-ethylpyrrole-2-carboxylate
CID 61314905
(1-oxo-1-piperidin-1-ylpropan-2-yl) 2-(3-amino-1,2,4-triazol-1-yl)acetate
CID 61315506
[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] acetate
CID 168848786
(4-amino-1,3-dimethylpyrazol-5-yl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 66124763
(1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylate
CID 55449701
(4-amino-1,3-dimethylpyrazol-5-yl)-(4-methylazepan-1-yl)methanone
CID 66125758

Frequently Asked Questions

What is the IUPAC name of (1-oxo-1-piperidin-1-ylpropan-2-yl) 4-amino-1,3-dimethylpyrazole-5-carboxylate?
The IUPAC name of (1-oxo-1-piperidin-1-ylpropan-2-yl) 4-amino-1,3-dimethylpyrazole-5-carboxylate (CID 66124225) is (1-oxo-1-piperidin-1-ylpropan-2-yl) 4-amino-1,3-dimethylpyrazole-5-carboxylate.
What is the SMILES notation for (1-oxo-1-piperidin-1-ylpropan-2-yl) 4-amino-1,3-dimethylpyrazole-5-carboxylate?
The canonical SMILES for (1-oxo-1-piperidin-1-ylpropan-2-yl) 4-amino-1,3-dimethylpyrazole-5-carboxylate is Cc1nn(C)c(C(=O)OC(C)C(=O)N2CCCCC2)c1N.
What is the InChIKey of (1-oxo-1-piperidin-1-ylpropan-2-yl) 4-amino-1,3-dimethylpyrazole-5-carboxylate?
The InChIKey is AZXBRZWUMUHKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-9-11(15)12(17(3)16-9)14(20)21-10(2)13(19)18-7-5-4-6-8-18/h10H,4-8,15H2,1-3H3.
What are the key properties of (1-oxo-1-piperidin-1-ylpropan-2-yl) 4-amino-1,3-dimethylpyrazole-5-carboxylate?
(1-oxo-1-piperidin-1-ylpropan-2-yl) 4-amino-1,3-dimethylpyrazole-5-carboxylate has a molecular weight of 294.36 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-oxo-1-piperidin-1-ylpropan-2-yl) 4-amino-1,3-dimethylpyrazole-5-carboxylate is sourced from PubChem (CID 66124225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).