methyl 5-amino-3-(diethylamino)-1H-pyrazole-4-carboxylate

C9H16N4O2 — CID 102808371

IUPACmethyl 5-amino-3-(diethylamino)-1H-pyrazole-4-carboxylate
SMILESCCN(CC)c1n[nH]c(N)c1C(=O)OC
InChIInChI=1S/C9H16N4O2/c1-4-13(5-2)8-6(9(14)15-3)7(10)11-12-8/h4-5H2,1-3H3,(H3,10,11,12)
InChIKeyWXXSOBYBJSKKFA-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.62
Rot. Bonds4

About methyl 5-amino-3-(diethylamino)-1H-pyrazole-4-carboxylate

methyl 5-amino-3-(diethylamino)-1H-pyrazole-4-carboxylate (PubChem CID 102808371) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is methyl 5-amino-3-(diethylamino)-1H-pyrazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-3-(diethylamino)-1H-pyrazole-4-carboxylate
PubChem CID102808371
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Namemethyl 5-amino-3-(diethylamino)-1H-pyrazole-4-carboxylate
SMILESCCN(CC)c1n[nH]c(N)c1C(=O)OC
InChIInChI=1S/C9H16N4O2/c1-4-13(5-2)8-6(9(14)15-3)7(10)11-12-8/h4-5H2,1-3H3,(H3,10,11,12)
InChIKeyWXXSOBYBJSKKFA-UHFFFAOYSA-N
XLogP0.62
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-amino-3-(diethylamino)-1-pyrimidin-2-ylpyrazole-4-carboxylate
CID 102808571
ethyl 3,5-diamino-1H-pyrazole-4-carboxylate
CID 4126248
methyl 5-amino-3-(cyclobutylamino)-1H-pyrazole-4-carboxylate
CID 102808359
methyl 5-amino-3-(diethylamino)-1-(2-hydroxycyclopentyl)pyrazole-4-carboxylate
CID 102809006
ethyl 5-amino-3-(ethylamino)-1H-pyrazole-4-carboxylate
CID 102534352
4-O-ethyl 5-O-methyl 3-methyl-6-oxo-1H-pyridazine-4,5-dicarboxylate
CID 10657654
methyl 5-amino-3-(diethylamino)-1-pyrimidin-4-ylpyrazole-4-carboxylate
CID 102809192
methyl 3-(diethylamino)-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carboxylate
CID 134069810
methyl 5-ethyl-3-propan-2-yl-1H-pyrazole-4-carboxylate
CID 121212808
methyl 6-(diethylamino)-5-methylpyridazine-3-carboxylate
CID 134966576
methyl 3-[ethyl(pentyl)amino]-5,6-dimethylpyridazine-4-carboxylate
CID 176694239
methyl 5-amino-3-[ethyl(methyl)amino]-1-pentan-3-ylpyrazole-4-carboxylate
CID 102808860

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-3-(diethylamino)-1H-pyrazole-4-carboxylate?
The IUPAC name of methyl 5-amino-3-(diethylamino)-1H-pyrazole-4-carboxylate (CID 102808371) is methyl 5-amino-3-(diethylamino)-1H-pyrazole-4-carboxylate.
What is the SMILES notation for methyl 5-amino-3-(diethylamino)-1H-pyrazole-4-carboxylate?
The canonical SMILES for methyl 5-amino-3-(diethylamino)-1H-pyrazole-4-carboxylate is CCN(CC)c1n[nH]c(N)c1C(=O)OC.
What is the InChIKey of methyl 5-amino-3-(diethylamino)-1H-pyrazole-4-carboxylate?
The InChIKey is WXXSOBYBJSKKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-4-13(5-2)8-6(9(14)15-3)7(10)11-12-8/h4-5H2,1-3H3,(H3,10,11,12).
What are the key properties of methyl 5-amino-3-(diethylamino)-1H-pyrazole-4-carboxylate?
methyl 5-amino-3-(diethylamino)-1H-pyrazole-4-carboxylate has a molecular weight of 212.25 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-3-(diethylamino)-1H-pyrazole-4-carboxylate is sourced from PubChem (CID 102808371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).