ethyl 5-(dimethylamino)-1H-pyrazole-4-carboxylate

C8H13N3O2 — CID 90937295

IUPACethyl 5-(dimethylamino)-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn[nH]c1N(C)C
InChIInChI=1S/C8H13N3O2/c1-4-13-8(12)6-5-9-10-7(6)11(2)3/h5H,4H2,1-3H3,(H,9,10)
InChIKeyTUYLRRGPYBMIID-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.65
Rot. Bonds3

About ethyl 5-(dimethylamino)-1H-pyrazole-4-carboxylate

ethyl 5-(dimethylamino)-1H-pyrazole-4-carboxylate (PubChem CID 90937295) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is ethyl 5-(dimethylamino)-1H-pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-(dimethylamino)-1H-pyrazole-4-carboxylate
PubChem CID90937295
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Nameethyl 5-(dimethylamino)-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn[nH]c1N(C)C
InChIInChI=1S/C8H13N3O2/c1-4-13-8(12)6-5-9-10-7(6)11(2)3/h5H,4H2,1-3H3,(H,9,10)
InChIKeyTUYLRRGPYBMIID-UHFFFAOYSA-N
XLogP0.65
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(dimethylamino)-1H-pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-(dimethylamino)-1H-pyrazole-4-carboxylate (CID 90937295) is ethyl 5-(dimethylamino)-1H-pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-(dimethylamino)-1H-pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-(dimethylamino)-1H-pyrazole-4-carboxylate is CCOC(=O)c1cn[nH]c1N(C)C.
What is the InChIKey of ethyl 5-(dimethylamino)-1H-pyrazole-4-carboxylate?
The InChIKey is TUYLRRGPYBMIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-4-13-8(12)6-5-9-10-7(6)11(2)3/h5H,4H2,1-3H3,(H,9,10).
What are the key properties of ethyl 5-(dimethylamino)-1H-pyrazole-4-carboxylate?
ethyl 5-(dimethylamino)-1H-pyrazole-4-carboxylate has a molecular weight of 183.21 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(dimethylamino)-1H-pyrazole-4-carboxylate is sourced from PubChem (CID 90937295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).