methyl 1-(difluoromethyl)-3-thiophen-2-ylpyrazole-5-carboxylate

C10H8F2N2O2S — CID 121211051

IUPACmethyl 1-(difluoromethyl)-3-thiophen-2-ylpyrazole-5-carboxylate
SMILESCOC(=O)c1cc(-c2cccs2)nn1C(F)F
InChIInChI=1S/C10H8F2N2O2S/c1-16-9(15)7-5-6(8-3-2-4-17-8)13-14(7)10(11)12/h2-5,10H,1H3
InChIKeyCRFNZUAKWFMJDW-UHFFFAOYSA-N
MW258.25 g/mol
LogP2.79
Rot. Bonds3

About methyl 1-(difluoromethyl)-3-thiophen-2-ylpyrazole-5-carboxylate

methyl 1-(difluoromethyl)-3-thiophen-2-ylpyrazole-5-carboxylate (PubChem CID 121211051) has the molecular formula C10H8F2N2O2S and a molecular weight of 258.25 g/mol. Its IUPAC name is methyl 1-(difluoromethyl)-3-thiophen-2-ylpyrazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-(difluoromethyl)-3-thiophen-2-ylpyrazole-5-carboxylate
PubChem CID121211051
Molecular FormulaC10H8F2N2O2S
Molecular Weight258.25 g/mol
Exact Mass258.03
IUPAC Namemethyl 1-(difluoromethyl)-3-thiophen-2-ylpyrazole-5-carboxylate
SMILESCOC(=O)c1cc(-c2cccs2)nn1C(F)F
InChIInChI=1S/C10H8F2N2O2S/c1-16-9(15)7-5-6(8-3-2-4-17-8)13-14(7)10(11)12/h2-5,10H,1H3
InChIKeyCRFNZUAKWFMJDW-UHFFFAOYSA-N
XLogP2.79
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.25
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(difluoromethyl)-3-thiophen-2-ylpyrazole-5-carboxylate?
The IUPAC name of methyl 1-(difluoromethyl)-3-thiophen-2-ylpyrazole-5-carboxylate (CID 121211051) is methyl 1-(difluoromethyl)-3-thiophen-2-ylpyrazole-5-carboxylate.
What is the SMILES notation for methyl 1-(difluoromethyl)-3-thiophen-2-ylpyrazole-5-carboxylate?
The canonical SMILES for methyl 1-(difluoromethyl)-3-thiophen-2-ylpyrazole-5-carboxylate is COC(=O)c1cc(-c2cccs2)nn1C(F)F.
What is the InChIKey of methyl 1-(difluoromethyl)-3-thiophen-2-ylpyrazole-5-carboxylate?
The InChIKey is CRFNZUAKWFMJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N2O2S/c1-16-9(15)7-5-6(8-3-2-4-17-8)13-14(7)10(11)12/h2-5,10H,1H3.
What are the key properties of methyl 1-(difluoromethyl)-3-thiophen-2-ylpyrazole-5-carboxylate?
methyl 1-(difluoromethyl)-3-thiophen-2-ylpyrazole-5-carboxylate has a molecular weight of 258.25 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(difluoromethyl)-3-thiophen-2-ylpyrazole-5-carboxylate is sourced from PubChem (CID 121211051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).