methyl 5-amino-3-(dimethylamino)-1-(2-hydroxyethyl)pyrazole-4-carboxylate

C9H16N4O3 — CID 102808136

IUPACmethyl 5-amino-3-(dimethylamino)-1-(2-hydroxyethyl)pyrazole-4-carboxylate
SMILESCOC(=O)c1c(N(C)C)nn(CCO)c1N
InChIInChI=1S/C9H16N4O3/c1-12(2)8-6(9(15)16-3)7(10)13(11-8)4-5-14/h14H,4-5,10H2,1-3H3
InChIKeyZQGKYVKGDQYICV-UHFFFAOYSA-N
MW228.25 g/mol
LogP-0.69
Rot. Bonds4

About methyl 5-amino-3-(dimethylamino)-1-(2-hydroxyethyl)pyrazole-4-carboxylate

methyl 5-amino-3-(dimethylamino)-1-(2-hydroxyethyl)pyrazole-4-carboxylate (PubChem CID 102808136) has the molecular formula C9H16N4O3 and a molecular weight of 228.25 g/mol. Its IUPAC name is methyl 5-amino-3-(dimethylamino)-1-(2-hydroxyethyl)pyrazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-3-(dimethylamino)-1-(2-hydroxyethyl)pyrazole-4-carboxylate
PubChem CID102808136
Molecular FormulaC9H16N4O3
Molecular Weight228.25 g/mol
Exact Mass228.12
IUPAC Namemethyl 5-amino-3-(dimethylamino)-1-(2-hydroxyethyl)pyrazole-4-carboxylate
SMILESCOC(=O)c1c(N(C)C)nn(CCO)c1N
InChIInChI=1S/C9H16N4O3/c1-12(2)8-6(9(15)16-3)7(10)13(11-8)4-5-14/h14H,4-5,10H2,1-3H3
InChIKeyZQGKYVKGDQYICV-UHFFFAOYSA-N
XLogP-0.69
TPSA93.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 5-amino-3-(dimethylamino)-1-propylpyrazole-4-carboxylate
CID 102808706
methyl 5-amino-3-[ethyl(methyl)amino]-1-pentan-3-ylpyrazole-4-carboxylate
CID 102808860
methyl 5-amino-3-(cyclopropylamino)-1-[2-(dimethylamino)ethyl]pyrazole-4-carboxylate
CID 102808980
methyl 5-amino-3-(cyclobutylamino)-1-[2-(dimethylamino)ethyl]pyrazole-4-carboxylate
CID 102808982
5-amino-1-(2-hydroxyethyl)-3-methylsulfanylpyrazole-4-carboxamide
CID 11401662
2-(4,5-diamino-3-methoxypyrazol-1-yl)ethanol
CID 66769968
methyl 5-amino-3-piperazin-1-yl-1-propylpyrazole-4-carboxylate
CID 102808721
methyl 5-amino-1-cyclohexyl-3-[ethyl(methyl)amino]pyrazole-4-carboxylate
CID 102808760
methyl 4-amino-1-(5-hydroxypentyl)pyrazole-3-carboxylate
CID 107344620
methyl 5-ethyl-1-(2-hydroxyethyl)triazole-4-carboxylate
CID 103105718
methyl 3-amino-5-(dimethylamino)-6-methylpyrazine-2-carboxylate
CID 129415851
methyl 5-amino-3-(diethylamino)-1-pyrimidin-2-ylpyrazole-4-carboxylate
CID 102808571

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-3-(dimethylamino)-1-(2-hydroxyethyl)pyrazole-4-carboxylate?
The IUPAC name of methyl 5-amino-3-(dimethylamino)-1-(2-hydroxyethyl)pyrazole-4-carboxylate (CID 102808136) is methyl 5-amino-3-(dimethylamino)-1-(2-hydroxyethyl)pyrazole-4-carboxylate.
What is the SMILES notation for methyl 5-amino-3-(dimethylamino)-1-(2-hydroxyethyl)pyrazole-4-carboxylate?
The canonical SMILES for methyl 5-amino-3-(dimethylamino)-1-(2-hydroxyethyl)pyrazole-4-carboxylate is COC(=O)c1c(N(C)C)nn(CCO)c1N.
What is the InChIKey of methyl 5-amino-3-(dimethylamino)-1-(2-hydroxyethyl)pyrazole-4-carboxylate?
The InChIKey is ZQGKYVKGDQYICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O3/c1-12(2)8-6(9(15)16-3)7(10)13(11-8)4-5-14/h14H,4-5,10H2,1-3H3.
What are the key properties of methyl 5-amino-3-(dimethylamino)-1-(2-hydroxyethyl)pyrazole-4-carboxylate?
methyl 5-amino-3-(dimethylamino)-1-(2-hydroxyethyl)pyrazole-4-carboxylate has a molecular weight of 228.25 g/mol, XLogP of -0.69, 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-(dimethylamino)-1-(2-hydroxyethyl)pyrazole-4-carboxylate is sourced from PubChem (CID 102808136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).