ethyl 1-[4-[1-(methylamino)ethyl]-2-pyridinyl]pyrazole-4-carboxylate

C14H18N4O2 — CID 81498015

IUPACethyl 1-[4-[1-(methylamino)ethyl]-2-pyridinyl]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2cc(C(C)NC)ccn2)c1
InChIInChI=1S/C14H18N4O2/c1-4-20-14(19)12-8-17-18(9-12)13-7-11(5-6-16-13)10(2)15-3/h5-10,15H,4H2,1-3H3
InChIKeyJFGIMUCNWSNSHD-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.72
Rot. Bonds5

About ethyl 1-[4-[1-(methylamino)ethyl]-2-pyridinyl]pyrazole-4-carboxylate

ethyl 1-[4-[1-(methylamino)ethyl]-2-pyridinyl]pyrazole-4-carboxylate (PubChem CID 81498015) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is ethyl 1-[4-[1-(methylamino)ethyl]-2-pyridinyl]pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[4-[1-(methylamino)ethyl]-2-pyridinyl]pyrazole-4-carboxylate
PubChem CID81498015
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Nameethyl 1-[4-[1-(methylamino)ethyl]-2-pyridinyl]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2cc(C(C)NC)ccn2)c1
InChIInChI=1S/C14H18N4O2/c1-4-20-14(19)12-8-17-18(9-12)13-7-11(5-6-16-13)10(2)15-3/h5-10,15H,4H2,1-3H3
InChIKeyJFGIMUCNWSNSHD-UHFFFAOYSA-N
XLogP1.72
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-(4-phenyl-2-pyridinyl)pyrazole-4-carboxylate
CID 46210366
ethyl 1-(2-chloropyrimidin-4-yl)pyrazole-4-carboxylate
CID 81497796
ethyl 1-(4-acetamidophenyl)pyrazole-4-carboxylate
CID 155434676
ethyl 1-[6-(ethylcarbamoyl)pyridazin-3-yl]pyrazole-4-carboxylate
CID 81497181
ethyl 1-[2-amino-6-(propylamino)pyrimidin-4-yl]pyrazole-4-carboxylate
CID 81494171
ethyl 1-(5-cyanopyrazin-2-yl)pyrazole-4-carboxylate
CID 81498617
ethyl 1-(4-amino-6-chloro-2-pyridinyl)pyrazole-4-carboxylate
CID 114070657
ethyl 1-(2-acetylphenyl)pyrazole-4-carboxylate
CID 81499002
ethyl 1-(2-amino-4-methylphenyl)pyrazole-4-carboxylate
CID 81498302
ethyl 1-(6-cyano-3-pyridinyl)pyrazole-4-carboxylate
CID 113320668
ethyl 1-(2-amino-4-methoxycarbonylphenyl)pyrazole-4-carboxylate
CID 81494413
ethyl 1-[4-fluoro-2-(1-hydroxyethyl)phenyl]pyrazole-4-carboxylate
CID 81497590

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[4-[1-(methylamino)ethyl]-2-pyridinyl]pyrazole-4-carboxylate?
The IUPAC name of ethyl 1-[4-[1-(methylamino)ethyl]-2-pyridinyl]pyrazole-4-carboxylate (CID 81498015) is ethyl 1-[4-[1-(methylamino)ethyl]-2-pyridinyl]pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-[4-[1-(methylamino)ethyl]-2-pyridinyl]pyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-[4-[1-(methylamino)ethyl]-2-pyridinyl]pyrazole-4-carboxylate is CCOC(=O)c1cnn(-c2cc(C(C)NC)ccn2)c1.
What is the InChIKey of ethyl 1-[4-[1-(methylamino)ethyl]-2-pyridinyl]pyrazole-4-carboxylate?
The InChIKey is JFGIMUCNWSNSHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-4-20-14(19)12-8-17-18(9-12)13-7-11(5-6-16-13)10(2)15-3/h5-10,15H,4H2,1-3H3.
What are the key properties of ethyl 1-[4-[1-(methylamino)ethyl]-2-pyridinyl]pyrazole-4-carboxylate?
ethyl 1-[4-[1-(methylamino)ethyl]-2-pyridinyl]pyrazole-4-carboxylate has a molecular weight of 274.32 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[4-[1-(methylamino)ethyl]-2-pyridinyl]pyrazole-4-carboxylate is sourced from PubChem (CID 81498015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).