methyl 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate

C15H12N2O2S — CID 2322069

IUPACmethyl 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate
SMILESCOC(=O)c1cn(-c2ccccc2)nc1-c1cccs1
InChIInChI=1S/C15H12N2O2S/c1-19-15(18)12-10-17(11-6-3-2-4-7-11)16-14(12)13-8-5-9-20-13/h2-10H,1H3
InChIKeyVQIOBLQJBVSQCY-UHFFFAOYSA-N
MW284.34 g/mol
LogP3.39
Rot. Bonds3

About methyl 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate

methyl 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate (PubChem CID 2322069) has the molecular formula C15H12N2O2S and a molecular weight of 284.34 g/mol. Its IUPAC name is methyl 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate
PubChem CID2322069
Molecular FormulaC15H12N2O2S
Molecular Weight284.34 g/mol
Exact Mass284.06
IUPAC Namemethyl 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate
SMILESCOC(=O)c1cn(-c2ccccc2)nc1-c1cccs1
InChIInChI=1S/C15H12N2O2S/c1-19-15(18)12-10-17(11-6-3-2-4-7-11)16-14(12)13-8-5-9-20-13/h2-10H,1H3
InChIKeyVQIOBLQJBVSQCY-UHFFFAOYSA-N
XLogP3.39
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate?
The IUPAC name of methyl 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate (CID 2322069) is methyl 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate.
What is the SMILES notation for methyl 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate?
The canonical SMILES for methyl 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate is COC(=O)c1cn(-c2ccccc2)nc1-c1cccs1.
What is the InChIKey of methyl 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate?
The InChIKey is VQIOBLQJBVSQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2S/c1-19-15(18)12-10-17(11-6-3-2-4-7-11)16-14(12)13-8-5-9-20-13/h2-10H,1H3.
What are the key properties of methyl 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate?
methyl 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate has a molecular weight of 284.34 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate is sourced from PubChem (CID 2322069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).