methyl 5-amino-3-(3-hydroxypiperidin-1-yl)-1-propylpyrazole-4-carboxylate

C13H22N4O3 — CID 102808709

IUPACmethyl 5-amino-3-(3-hydroxypiperidin-1-yl)-1-propylpyrazole-4-carboxylate
SMILESCCCn1nc(N2CCCC(O)C2)c(C(=O)OC)c1N
InChIInChI=1S/C13H22N4O3/c1-3-6-17-11(14)10(13(19)20-2)12(15-17)16-7-4-5-9(18)8-16/h9,18H,3-8,14H2,1-2H3
InChIKeyCQEVDUIRGWXLKA-UHFFFAOYSA-N
MW282.34 g/mol
LogP0.62
Rot. Bonds4

About methyl 5-amino-3-(3-hydroxypiperidin-1-yl)-1-propylpyrazole-4-carboxylate

methyl 5-amino-3-(3-hydroxypiperidin-1-yl)-1-propylpyrazole-4-carboxylate (PubChem CID 102808709) has the molecular formula C13H22N4O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is methyl 5-amino-3-(3-hydroxypiperidin-1-yl)-1-propylpyrazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-3-(3-hydroxypiperidin-1-yl)-1-propylpyrazole-4-carboxylate
PubChem CID102808709
Molecular FormulaC13H22N4O3
Molecular Weight282.34 g/mol
Exact Mass282.17
IUPAC Namemethyl 5-amino-3-(3-hydroxypiperidin-1-yl)-1-propylpyrazole-4-carboxylate
SMILESCCCn1nc(N2CCCC(O)C2)c(C(=O)OC)c1N
InChIInChI=1S/C13H22N4O3/c1-3-6-17-11(14)10(13(19)20-2)12(15-17)16-7-4-5-9(18)8-16/h9,18H,3-8,14H2,1-2H3
InChIKeyCQEVDUIRGWXLKA-UHFFFAOYSA-N
XLogP0.62
TPSA93.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-3-(3-hydroxypiperidin-1-yl)-1-propylpyrazole-4-carboxylate?
The IUPAC name of methyl 5-amino-3-(3-hydroxypiperidin-1-yl)-1-propylpyrazole-4-carboxylate (CID 102808709) is methyl 5-amino-3-(3-hydroxypiperidin-1-yl)-1-propylpyrazole-4-carboxylate.
What is the SMILES notation for methyl 5-amino-3-(3-hydroxypiperidin-1-yl)-1-propylpyrazole-4-carboxylate?
The canonical SMILES for methyl 5-amino-3-(3-hydroxypiperidin-1-yl)-1-propylpyrazole-4-carboxylate is CCCn1nc(N2CCCC(O)C2)c(C(=O)OC)c1N.
What is the InChIKey of methyl 5-amino-3-(3-hydroxypiperidin-1-yl)-1-propylpyrazole-4-carboxylate?
The InChIKey is CQEVDUIRGWXLKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3/c1-3-6-17-11(14)10(13(19)20-2)12(15-17)16-7-4-5-9(18)8-16/h9,18H,3-8,14H2,1-2H3.
What are the key properties of methyl 5-amino-3-(3-hydroxypiperidin-1-yl)-1-propylpyrazole-4-carboxylate?
methyl 5-amino-3-(3-hydroxypiperidin-1-yl)-1-propylpyrazole-4-carboxylate has a molecular weight of 282.34 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-3-(3-hydroxypiperidin-1-yl)-1-propylpyrazole-4-carboxylate is sourced from PubChem (CID 102808709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).