ethyl 3-[4-(difluoromethyl)-1-methylpyrazol-3-yl]-1H-pyrazole-5-carboxylate

C11H12F2N4O2 — CID 165475889

IUPACethyl 3-[4-(difluoromethyl)-1-methylpyrazol-3-yl]-1H-pyrazole-5-carboxylate
SMILESCCOC(=O)c1cc(-c2nn(C)cc2C(F)F)n[nH]1
InChIInChI=1S/C11H12F2N4O2/c1-3-19-11(18)8-4-7(14-15-8)9-6(10(12)13)5-17(2)16-9/h4-5,10H,3H2,1-2H3,(H,14,15)
InChIKeyNWPROXHLBWPEQS-UHFFFAOYSA-N
MW270.24 g/mol
LogP1.92
Rot. Bonds4

About ethyl 3-[4-(difluoromethyl)-1-methylpyrazol-3-yl]-1H-pyrazole-5-carboxylate

ethyl 3-[4-(difluoromethyl)-1-methylpyrazol-3-yl]-1H-pyrazole-5-carboxylate (PubChem CID 165475889) has the molecular formula C11H12F2N4O2 and a molecular weight of 270.24 g/mol. Its IUPAC name is ethyl 3-[4-(difluoromethyl)-1-methylpyrazol-3-yl]-1H-pyrazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-[4-(difluoromethyl)-1-methylpyrazol-3-yl]-1H-pyrazole-5-carboxylate
PubChem CID165475889
Molecular FormulaC11H12F2N4O2
Molecular Weight270.24 g/mol
Exact Mass270.09
IUPAC Nameethyl 3-[4-(difluoromethyl)-1-methylpyrazol-3-yl]-1H-pyrazole-5-carboxylate
SMILESCCOC(=O)c1cc(-c2nn(C)cc2C(F)F)n[nH]1
InChIInChI=1S/C11H12F2N4O2/c1-3-19-11(18)8-4-7(14-15-8)9-6(10(12)13)5-17(2)16-9/h4-5,10H,3H2,1-2H3,(H,14,15)
InChIKeyNWPROXHLBWPEQS-UHFFFAOYSA-N
XLogP1.92
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[4-(difluoromethyl)-1-methylpyrazol-3-yl]-1H-pyrazole-5-carboxylate?
The IUPAC name of ethyl 3-[4-(difluoromethyl)-1-methylpyrazol-3-yl]-1H-pyrazole-5-carboxylate (CID 165475889) is ethyl 3-[4-(difluoromethyl)-1-methylpyrazol-3-yl]-1H-pyrazole-5-carboxylate.
What is the SMILES notation for ethyl 3-[4-(difluoromethyl)-1-methylpyrazol-3-yl]-1H-pyrazole-5-carboxylate?
The canonical SMILES for ethyl 3-[4-(difluoromethyl)-1-methylpyrazol-3-yl]-1H-pyrazole-5-carboxylate is CCOC(=O)c1cc(-c2nn(C)cc2C(F)F)n[nH]1.
What is the InChIKey of ethyl 3-[4-(difluoromethyl)-1-methylpyrazol-3-yl]-1H-pyrazole-5-carboxylate?
The InChIKey is NWPROXHLBWPEQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N4O2/c1-3-19-11(18)8-4-7(14-15-8)9-6(10(12)13)5-17(2)16-9/h4-5,10H,3H2,1-2H3,(H,14,15).
What are the key properties of ethyl 3-[4-(difluoromethyl)-1-methylpyrazol-3-yl]-1H-pyrazole-5-carboxylate?
ethyl 3-[4-(difluoromethyl)-1-methylpyrazol-3-yl]-1H-pyrazole-5-carboxylate has a molecular weight of 270.24 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[4-(difluoromethyl)-1-methylpyrazol-3-yl]-1H-pyrazole-5-carboxylate is sourced from PubChem (CID 165475889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).