methyl 5-amino-3-(cyclopropylamino)-1-(2-hydroxycyclopentyl)pyrazole-4-carboxylate

C13H20N4O3 — CID 102808998

IUPACmethyl 5-amino-3-(cyclopropylamino)-1-(2-hydroxycyclopentyl)pyrazole-4-carboxylate
SMILESCOC(=O)c1c(NC2CC2)nn(C2CCCC2O)c1N
InChIInChI=1S/C13H20N4O3/c1-20-13(19)10-11(14)17(8-3-2-4-9(8)18)16-12(10)15-7-5-6-7/h7-9,18H,2-6,14H2,1H3,(H,15,16)
InChIKeyJOGJVORFYLXNOA-UHFFFAOYSA-N
MW280.33 g/mol
LogP0.91
Rot. Bonds4

About methyl 5-amino-3-(cyclopropylamino)-1-(2-hydroxycyclopentyl)pyrazole-4-carboxylate

methyl 5-amino-3-(cyclopropylamino)-1-(2-hydroxycyclopentyl)pyrazole-4-carboxylate (PubChem CID 102808998) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is methyl 5-amino-3-(cyclopropylamino)-1-(2-hydroxycyclopentyl)pyrazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-3-(cyclopropylamino)-1-(2-hydroxycyclopentyl)pyrazole-4-carboxylate
PubChem CID102808998
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Namemethyl 5-amino-3-(cyclopropylamino)-1-(2-hydroxycyclopentyl)pyrazole-4-carboxylate
SMILESCOC(=O)c1c(NC2CC2)nn(C2CCCC2O)c1N
InChIInChI=1S/C13H20N4O3/c1-20-13(19)10-11(14)17(8-3-2-4-9(8)18)16-12(10)15-7-5-6-7/h7-9,18H,2-6,14H2,1H3,(H,15,16)
InChIKeyJOGJVORFYLXNOA-UHFFFAOYSA-N
XLogP0.91
TPSA102.40 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 5-amino-3-(cyclopropylamino)-1-(2-hydroxycyclohexyl)pyrazole-4-carboxylate
CID 102809010
methyl 5-amino-3-(diethylamino)-1-(2-hydroxycyclopentyl)pyrazole-4-carboxylate
CID 102809006
methyl 5-amino-3-(cyclobutylamino)-1-pyrimidin-2-ylpyrazole-4-carboxylate
CID 102808565
2-[5-amino-3-(cyclobutylamino)-4-methylsulfonylpyrazol-1-yl]cyclopentan-1-ol
CID 102826212
methyl 5-amino-3-[ethyl(methyl)amino]-1-(2-hydroxycyclohexyl)pyrazole-4-carboxylate
CID 102809007
methyl 5-amino-1-tert-butyl-3-(cyclohexylamino)pyrazole-4-carboxylate
CID 102808403
methyl 5-amino-3-(cyclopropylamino)-1-(2-methylphenyl)pyrazole-4-carboxylate
CID 102808304
methyl 5-amino-3-(cyclobutylamino)-1-[2-(dimethylamino)ethyl]pyrazole-4-carboxylate
CID 102808982
methyl 5-amino-3-(cyclopropylamino)-1-[2-(dimethylamino)ethyl]pyrazole-4-carboxylate
CID 102808980
methyl 5-amino-1-ethyl-3-(piperidin-4-ylamino)pyrazole-4-carboxylate
CID 102808675
methyl 5-amino-3-(cyclobutylamino)-1H-pyrazole-4-carboxylate
CID 102808359
methyl 5-amino-1-butyl-3-(oxan-4-ylamino)pyrazole-4-carboxylate
CID 102808783

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-3-(cyclopropylamino)-1-(2-hydroxycyclopentyl)pyrazole-4-carboxylate?
The IUPAC name of methyl 5-amino-3-(cyclopropylamino)-1-(2-hydroxycyclopentyl)pyrazole-4-carboxylate (CID 102808998) is methyl 5-amino-3-(cyclopropylamino)-1-(2-hydroxycyclopentyl)pyrazole-4-carboxylate.
What is the SMILES notation for methyl 5-amino-3-(cyclopropylamino)-1-(2-hydroxycyclopentyl)pyrazole-4-carboxylate?
The canonical SMILES for methyl 5-amino-3-(cyclopropylamino)-1-(2-hydroxycyclopentyl)pyrazole-4-carboxylate is COC(=O)c1c(NC2CC2)nn(C2CCCC2O)c1N.
What is the InChIKey of methyl 5-amino-3-(cyclopropylamino)-1-(2-hydroxycyclopentyl)pyrazole-4-carboxylate?
The InChIKey is JOGJVORFYLXNOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-20-13(19)10-11(14)17(8-3-2-4-9(8)18)16-12(10)15-7-5-6-7/h7-9,18H,2-6,14H2,1H3,(H,15,16).
What are the key properties of methyl 5-amino-3-(cyclopropylamino)-1-(2-hydroxycyclopentyl)pyrazole-4-carboxylate?
methyl 5-amino-3-(cyclopropylamino)-1-(2-hydroxycyclopentyl)pyrazole-4-carboxylate has a molecular weight of 280.33 g/mol, XLogP of 0.91, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-3-(cyclopropylamino)-1-(2-hydroxycyclopentyl)pyrazole-4-carboxylate is sourced from PubChem (CID 102808998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).