methyl 1-(4-thiophen-2-yl-2-pyridinyl)pyrazole-3-carboxylate

C14H11N3O2S — CID 174493597

IUPACmethyl 1-(4-thiophen-2-yl-2-pyridinyl)pyrazole-3-carboxylate
SMILESCOC(=O)c1ccn(-c2cc(-c3cccs3)ccn2)n1
InChIInChI=1S/C14H11N3O2S/c1-19-14(18)11-5-7-17(16-11)13-9-10(4-6-15-13)12-3-2-8-20-12/h2-9H,1H3
InChIKeyQTGYLIYMFBHXPQ-UHFFFAOYSA-N
MW285.33 g/mol
LogP2.78
Rot. Bonds3

About methyl 1-(4-thiophen-2-yl-2-pyridinyl)pyrazole-3-carboxylate

methyl 1-(4-thiophen-2-yl-2-pyridinyl)pyrazole-3-carboxylate (PubChem CID 174493597) has the molecular formula C14H11N3O2S and a molecular weight of 285.33 g/mol. Its IUPAC name is methyl 1-(4-thiophen-2-yl-2-pyridinyl)pyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4-thiophen-2-yl-2-pyridinyl)pyrazole-3-carboxylate
PubChem CID174493597
Molecular FormulaC14H11N3O2S
Molecular Weight285.33 g/mol
Exact Mass285.06
IUPAC Namemethyl 1-(4-thiophen-2-yl-2-pyridinyl)pyrazole-3-carboxylate
SMILESCOC(=O)c1ccn(-c2cc(-c3cccs3)ccn2)n1
InChIInChI=1S/C14H11N3O2S/c1-19-14(18)11-5-7-17(16-11)13-9-10(4-6-15-13)12-3-2-8-20-12/h2-9H,1H3
InChIKeyQTGYLIYMFBHXPQ-UHFFFAOYSA-N
XLogP2.78
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(4-thiophen-2-yl-2-pyridinyl)pyrazole-3-carboxylate?
The IUPAC name of methyl 1-(4-thiophen-2-yl-2-pyridinyl)pyrazole-3-carboxylate (CID 174493597) is methyl 1-(4-thiophen-2-yl-2-pyridinyl)pyrazole-3-carboxylate.
What is the SMILES notation for methyl 1-(4-thiophen-2-yl-2-pyridinyl)pyrazole-3-carboxylate?
The canonical SMILES for methyl 1-(4-thiophen-2-yl-2-pyridinyl)pyrazole-3-carboxylate is COC(=O)c1ccn(-c2cc(-c3cccs3)ccn2)n1.
What is the InChIKey of methyl 1-(4-thiophen-2-yl-2-pyridinyl)pyrazole-3-carboxylate?
The InChIKey is QTGYLIYMFBHXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2S/c1-19-14(18)11-5-7-17(16-11)13-9-10(4-6-15-13)12-3-2-8-20-12/h2-9H,1H3.
What are the key properties of methyl 1-(4-thiophen-2-yl-2-pyridinyl)pyrazole-3-carboxylate?
methyl 1-(4-thiophen-2-yl-2-pyridinyl)pyrazole-3-carboxylate has a molecular weight of 285.33 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4-thiophen-2-yl-2-pyridinyl)pyrazole-3-carboxylate is sourced from PubChem (CID 174493597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).