ethyl 2-[2-(dimethylamino)ethyl]pyrazole-3-carboxylate

C10H17N3O2 — CID 155487137

IUPACethyl 2-[2-(dimethylamino)ethyl]pyrazole-3-carboxylate
SMILESCCOC(=O)c1ccnn1CCN(C)C
InChIInChI=1S/C10H17N3O2/c1-4-15-10(14)9-5-6-11-13(9)8-7-12(2)3/h5-6H,4,7-8H2,1-3H3
InChIKeyPDOJMUDIZYFACA-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.62
Rot. Bonds5

About ethyl 2-[2-(dimethylamino)ethyl]pyrazole-3-carboxylate

ethyl 2-[2-(dimethylamino)ethyl]pyrazole-3-carboxylate (PubChem CID 155487137) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is ethyl 2-[2-(dimethylamino)ethyl]pyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[2-(dimethylamino)ethyl]pyrazole-3-carboxylate
PubChem CID155487137
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Nameethyl 2-[2-(dimethylamino)ethyl]pyrazole-3-carboxylate
SMILESCCOC(=O)c1ccnn1CCN(C)C
InChIInChI=1S/C10H17N3O2/c1-4-15-10(14)9-5-6-11-13(9)8-7-12(2)3/h5-6H,4,7-8H2,1-3H3
InChIKeyPDOJMUDIZYFACA-UHFFFAOYSA-N
XLogP0.62
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(fluoromethyl)pyrazole-3-carboxylate
CID 140995866
potassium 2-[2-(dimethylamino)ethyl]pyrazole-3-carboxylate
CID 154702947
ethyl 2-propylpyrazole-3-carboxylate;ethyl 1H-pyrazole-5-carboxylate;sulfur dioxide
CID 165077659
ethyl 2-tert-butylpyrazole-3-carboxylate
CID 56956209
ethyl 2-[3-(oxan-2-yloxy)propyl]pyrazole-3-carboxylate
CID 166889045
ethyl 1-[2-(dimethylamino)ethyl]-5-propan-2-ylpyrazole-4-carboxylate
CID 55173850
3-(dimethylamino)-1-(2-methylpyrazol-3-yl)propan-1-one
CID 115345752
ethyl 1-[3-(dimethylamino)propyl]pyrrole-2-carboxylate
CID 105422127
ethyl 1-[3-(dimethylamino)propyl]pyrazole-4-carboxylate
CID 114525727
1-N,4-N-bis[2-[2-(dimethylamino)ethyl]pyrazol-3-yl]cyclohexane-1,4-dicarboxamide
CID 167816670
ethyl 2-[(2S)-1-aminopropan-2-yl]pyrazole-3-carboxylate;hydrochloride
CID 121293307
2-propylpyrazole-3-carboxylic acid
CID 7017775

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(dimethylamino)ethyl]pyrazole-3-carboxylate?
The IUPAC name of ethyl 2-[2-(dimethylamino)ethyl]pyrazole-3-carboxylate (CID 155487137) is ethyl 2-[2-(dimethylamino)ethyl]pyrazole-3-carboxylate.
What is the SMILES notation for ethyl 2-[2-(dimethylamino)ethyl]pyrazole-3-carboxylate?
The canonical SMILES for ethyl 2-[2-(dimethylamino)ethyl]pyrazole-3-carboxylate is CCOC(=O)c1ccnn1CCN(C)C.
What is the InChIKey of ethyl 2-[2-(dimethylamino)ethyl]pyrazole-3-carboxylate?
The InChIKey is PDOJMUDIZYFACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-4-15-10(14)9-5-6-11-13(9)8-7-12(2)3/h5-6H,4,7-8H2,1-3H3.
What are the key properties of ethyl 2-[2-(dimethylamino)ethyl]pyrazole-3-carboxylate?
ethyl 2-[2-(dimethylamino)ethyl]pyrazole-3-carboxylate has a molecular weight of 211.26 g/mol, XLogP of 0.62, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(dimethylamino)ethyl]pyrazole-3-carboxylate is sourced from PubChem (CID 155487137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).