methyl 5-amino-3-(cyclobutylamino)-1-[2-(dimethylamino)ethyl]pyrazole-4-carboxylate

C13H23N5O2 — CID 102808982

IUPACmethyl 5-amino-3-(cyclobutylamino)-1-[2-(dimethylamino)ethyl]pyrazole-4-carboxylate
SMILESCOC(=O)c1c(NC2CCC2)nn(CCN(C)C)c1N
InChIInChI=1S/C13H23N5O2/c1-17(2)7-8-18-11(14)10(13(19)20-3)12(16-18)15-9-5-4-6-9/h9H,4-8,14H2,1-3H3,(H,15,16)
InChIKeyASWHPIRQYPPJQI-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.78
Rot. Bonds6

About methyl 5-amino-3-(cyclobutylamino)-1-[2-(dimethylamino)ethyl]pyrazole-4-carboxylate

methyl 5-amino-3-(cyclobutylamino)-1-[2-(dimethylamino)ethyl]pyrazole-4-carboxylate (PubChem CID 102808982) has the molecular formula C13H23N5O2 and a molecular weight of 281.36 g/mol. Its IUPAC name is methyl 5-amino-3-(cyclobutylamino)-1-[2-(dimethylamino)ethyl]pyrazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-3-(cyclobutylamino)-1-[2-(dimethylamino)ethyl]pyrazole-4-carboxylate
PubChem CID102808982
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC Namemethyl 5-amino-3-(cyclobutylamino)-1-[2-(dimethylamino)ethyl]pyrazole-4-carboxylate
SMILESCOC(=O)c1c(NC2CCC2)nn(CCN(C)C)c1N
InChIInChI=1S/C13H23N5O2/c1-17(2)7-8-18-11(14)10(13(19)20-3)12(16-18)15-9-5-4-6-9/h9H,4-8,14H2,1-3H3,(H,15,16)
InChIKeyASWHPIRQYPPJQI-UHFFFAOYSA-N
XLogP0.78
TPSA85.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 5-amino-3-(cyclopropylamino)-1-[2-(dimethylamino)ethyl]pyrazole-4-carboxylate
CID 102808980
methyl 5-amino-1-butyl-3-(oxan-4-ylamino)pyrazole-4-carboxylate
CID 102808783
methyl 5-amino-1-tert-butyl-3-(cyclohexylamino)pyrazole-4-carboxylate
CID 102808403
methyl 5-amino-1-ethyl-3-(piperidin-4-ylamino)pyrazole-4-carboxylate
CID 102808675
methyl 5-amino-3-(cyclobutylamino)-1-pyrimidin-2-ylpyrazole-4-carboxylate
CID 102808565
methyl 5-amino-3-(cyclopropylamino)-1-(2-hydroxycyclopentyl)pyrazole-4-carboxylate
CID 102808998
methyl 5-amino-3-(cyclopropylamino)-1-(2-hydroxycyclohexyl)pyrazole-4-carboxylate
CID 102809010
methyl 5-amino-3-(cyclobutylamino)-1H-pyrazole-4-carboxylate
CID 102808359
methyl 5-amino-1-butyl-3-(1-cyclopropylethylamino)pyrazole-4-carboxylate
CID 102808792
methyl 5-amino-3-(dimethylamino)-1-(2-hydroxyethyl)pyrazole-4-carboxylate
CID 102808136
methyl 5-amino-3-(dimethylamino)-1-propylpyrazole-4-carboxylate
CID 102808706
methyl 5-amino-3-(cyclopropylamino)-1-(2-methylphenyl)pyrazole-4-carboxylate
CID 102808304

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-3-(cyclobutylamino)-1-[2-(dimethylamino)ethyl]pyrazole-4-carboxylate?
The IUPAC name of methyl 5-amino-3-(cyclobutylamino)-1-[2-(dimethylamino)ethyl]pyrazole-4-carboxylate (CID 102808982) is methyl 5-amino-3-(cyclobutylamino)-1-[2-(dimethylamino)ethyl]pyrazole-4-carboxylate.
What is the SMILES notation for methyl 5-amino-3-(cyclobutylamino)-1-[2-(dimethylamino)ethyl]pyrazole-4-carboxylate?
The canonical SMILES for methyl 5-amino-3-(cyclobutylamino)-1-[2-(dimethylamino)ethyl]pyrazole-4-carboxylate is COC(=O)c1c(NC2CCC2)nn(CCN(C)C)c1N.
What is the InChIKey of methyl 5-amino-3-(cyclobutylamino)-1-[2-(dimethylamino)ethyl]pyrazole-4-carboxylate?
The InChIKey is ASWHPIRQYPPJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2/c1-17(2)7-8-18-11(14)10(13(19)20-3)12(16-18)15-9-5-4-6-9/h9H,4-8,14H2,1-3H3,(H,15,16).
What are the key properties of methyl 5-amino-3-(cyclobutylamino)-1-[2-(dimethylamino)ethyl]pyrazole-4-carboxylate?
methyl 5-amino-3-(cyclobutylamino)-1-[2-(dimethylamino)ethyl]pyrazole-4-carboxylate has a molecular weight of 281.36 g/mol, XLogP of 0.78, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-3-(cyclobutylamino)-1-[2-(dimethylamino)ethyl]pyrazole-4-carboxylate is sourced from PubChem (CID 102808982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).