ethyl 5-[2-(methylamino)ethyl]-1H-pyrazole-4-carboxylate

C9H15N3O2 — CID 175411581

IUPACethyl 5-[2-(methylamino)ethyl]-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn[nH]c1CCNC
InChIInChI=1S/C9H15N3O2/c1-3-14-9(13)7-6-11-12-8(7)4-5-10-2/h6,10H,3-5H2,1-2H3,(H,11,12)
InChIKeyLJBDEGAYHYSRJV-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.35
Rot. Bonds5

About ethyl 5-[2-(methylamino)ethyl]-1H-pyrazole-4-carboxylate

ethyl 5-[2-(methylamino)ethyl]-1H-pyrazole-4-carboxylate (PubChem CID 175411581) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is ethyl 5-[2-(methylamino)ethyl]-1H-pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[2-(methylamino)ethyl]-1H-pyrazole-4-carboxylate
PubChem CID175411581
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Nameethyl 5-[2-(methylamino)ethyl]-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn[nH]c1CCNC
InChIInChI=1S/C9H15N3O2/c1-3-14-9(13)7-6-11-12-8(7)4-5-10-2/h6,10H,3-5H2,1-2H3,(H,11,12)
InChIKeyLJBDEGAYHYSRJV-UHFFFAOYSA-N
XLogP0.35
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 5-(2-chloro-2-oxoethyl)-1H-pyrazole-4-carboxylate
CID 123571430
ethyl 5-[(4-chlorophenyl)methyl]-1H-pyrazole-4-carboxylate
CID 75360673
ethyl 5-(thiophen-2-ylmethyl)-1H-pyrazole-4-carboxylate
CID 75360661
4-ethoxycarbonyl-1H-pyrazole-5-carboxylic acid
CID 19599802
ethyl 5-(1-hydroxy-1-sulfanylethyl)-1H-pyrazole-4-carboxylate
CID 145046879
ethyl 5-(hydroxycarbamothioyl)-1H-pyrazole-4-carboxylate
CID 135528316
3-[(4-ethoxycarbonyl-1H-pyrazol-5-yl)amino]-3-oxopropanoic acid
CID 110480106
ethyl 5-(2-amino-2-ethoxyethenyl)-1H-pyrazole-4-carboxylate
CID 70087855
ethyl 5-[(2-amino-2-methylpropanoyl)amino]-1H-pyrazole-4-carboxylate
CID 110479995
ethyl 5-(3-methylcyclobutyl)-1H-pyrazole-4-carboxylate
CID 119055009
ethyl 5-(cyclopropylmethylsulfamoyl)-1H-pyrazole-4-carboxylate
CID 60727337
ethyl 5-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-1H-pyrazole-4-carboxylate
CID 110482748

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[2-(methylamino)ethyl]-1H-pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-[2-(methylamino)ethyl]-1H-pyrazole-4-carboxylate (CID 175411581) is ethyl 5-[2-(methylamino)ethyl]-1H-pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[2-(methylamino)ethyl]-1H-pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-[2-(methylamino)ethyl]-1H-pyrazole-4-carboxylate is CCOC(=O)c1cn[nH]c1CCNC.
What is the InChIKey of ethyl 5-[2-(methylamino)ethyl]-1H-pyrazole-4-carboxylate?
The InChIKey is LJBDEGAYHYSRJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-3-14-9(13)7-6-11-12-8(7)4-5-10-2/h6,10H,3-5H2,1-2H3,(H,11,12).
What are the key properties of ethyl 5-[2-(methylamino)ethyl]-1H-pyrazole-4-carboxylate?
ethyl 5-[2-(methylamino)ethyl]-1H-pyrazole-4-carboxylate has a molecular weight of 197.24 g/mol, XLogP of 0.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[2-(methylamino)ethyl]-1H-pyrazole-4-carboxylate is sourced from PubChem (CID 175411581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).