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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Related Compounds

methyl 5-amino-3-piperazin-1-yl-1-propylpyrazole-4-carboxylate
CID 102808721
methyl 5-amino-3-(4-aminopiperidin-1-yl)-1-(2-cyanoethyl)pyrazole-4-carboxylate
CID 102808461
methyl 5-amino-3-(dimethylamino)-1-propylpyrazole-4-carboxylate
CID 102808706
5-amino-3-(3-hydroxypiperidin-1-yl)-1-(2-methylsulfonylethyl)pyrazole-4-carbonitrile
CID 102796673
methyl 5-amino-3-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-methylpyrazole-4-carboxylate
CID 102808206
methyl 5-amino-1,4-dipropylpyrazole-3-carboxylate
CID 165475313
methyl 5-amino-1-butyl-3-(1-cyclopropylethylamino)pyrazole-4-carboxylate
CID 102808792
methyl 5-amino-1-butyl-3-(oxan-4-ylamino)pyrazole-4-carboxylate
CID 102808783
methyl 5-amino-1-tert-butyl-3-(4-methylpiperazin-1-yl)pyrazole-4-carboxylate
CID 102808410
tert-butyl 4-(5-amino-3-methoxycarbonyl-1-propylpyrazol-4-yl)piperidine-1-carboxylate
CID 165486035
methyl 5-amino-3-(cyclobutylamino)-1-[2-(dimethylamino)ethyl]pyrazole-4-carboxylate
CID 102808982
methyl 4-amino-2-(3-hydroxypyrrolidin-1-yl)-5-propanoylthiophene-3-carboxylate
CID 103421661

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).