ethyl 3-thiophen-3-yl-1H-pyrazole-5-carboxylate

C10H10N2O2S — CID 165461517

IUPACethyl 3-thiophen-3-yl-1H-pyrazole-5-carboxylate
SMILESCCOC(=O)c1cc(-c2ccsc2)n[nH]1
InChIInChI=1S/C10H10N2O2S/c1-2-14-10(13)9-5-8(11-12-9)7-3-4-15-6-7/h3-6H,2H2,1H3,(H,11,12)
InChIKeyXXPQQQGODCZOOM-UHFFFAOYSA-N
MW222.27 g/mol
LogP2.31
Rot. Bonds3

About ethyl 3-thiophen-3-yl-1H-pyrazole-5-carboxylate

ethyl 3-thiophen-3-yl-1H-pyrazole-5-carboxylate (PubChem CID 165461517) has the molecular formula C10H10N2O2S and a molecular weight of 222.27 g/mol. Its IUPAC name is ethyl 3-thiophen-3-yl-1H-pyrazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-thiophen-3-yl-1H-pyrazole-5-carboxylate
PubChem CID165461517
Molecular FormulaC10H10N2O2S
Molecular Weight222.27 g/mol
Exact Mass222.05
IUPAC Nameethyl 3-thiophen-3-yl-1H-pyrazole-5-carboxylate
SMILESCCOC(=O)c1cc(-c2ccsc2)n[nH]1
InChIInChI=1S/C10H10N2O2S/c1-2-14-10(13)9-5-8(11-12-9)7-3-4-15-6-7/h3-6H,2H2,1H3,(H,11,12)
InChIKeyXXPQQQGODCZOOM-UHFFFAOYSA-N
XLogP2.31
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-thiophen-3-yl-1H-pyrazole-5-carboxylate
CID 121205064
ethyl 3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxylate
CID 75357938
ethyl 3-(2-methylpyrimidin-5-yl)-1H-pyrazole-5-carboxylate
CID 135319051
(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 3-(4-methylphenyl)-1H-pyrazole-5-carboxylate
CID 30706243
ethyl 3-[4-(2-methylpropyl)phenyl]-1H-pyrazole-5-carboxylate
CID 75357945
ethyl 5-(4-thiophen-3-ylphenyl)-2H-triazole-4-carboxylate
CID 169401570
ethyl 3-(4-cyclohexylphenyl)-1H-pyrazole-5-carboxylate
CID 75357944
ethyl 2-methyl-5-thiophen-3-yl-1,3-thiazole-4-carboxylate
CID 53271415
ethyl 3-(2-methoxyphenyl)-1H-pyrazole-5-carboxylate
CID 57356240
ethyl 3-[4-[(4-methylbenzoyl)amino]phenyl]-1H-pyrazole-5-carboxylate
CID 56675418
ethyl 3-(3-cyano-4-fluorophenyl)-1H-pyrazole-5-carboxylate
CID 71087899
4-O-ethyl 2-O-methyl 5-thiophen-3-yl-1H-pyrrole-2,4-dicarboxylate
CID 162404153

Frequently Asked Questions

What is the IUPAC name of ethyl 3-thiophen-3-yl-1H-pyrazole-5-carboxylate?
The IUPAC name of ethyl 3-thiophen-3-yl-1H-pyrazole-5-carboxylate (CID 165461517) is ethyl 3-thiophen-3-yl-1H-pyrazole-5-carboxylate.
What is the SMILES notation for ethyl 3-thiophen-3-yl-1H-pyrazole-5-carboxylate?
The canonical SMILES for ethyl 3-thiophen-3-yl-1H-pyrazole-5-carboxylate is CCOC(=O)c1cc(-c2ccsc2)n[nH]1.
What is the InChIKey of ethyl 3-thiophen-3-yl-1H-pyrazole-5-carboxylate?
The InChIKey is XXPQQQGODCZOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2S/c1-2-14-10(13)9-5-8(11-12-9)7-3-4-15-6-7/h3-6H,2H2,1H3,(H,11,12).
What are the key properties of ethyl 3-thiophen-3-yl-1H-pyrazole-5-carboxylate?
ethyl 3-thiophen-3-yl-1H-pyrazole-5-carboxylate has a molecular weight of 222.27 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-thiophen-3-yl-1H-pyrazole-5-carboxylate is sourced from PubChem (CID 165461517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).