ethyl 3-[3-(difluoromethyl)pyrazol-1-yl]cyclobutane-1-carboxylate

C11H14F2N2O2 — CID 156823396

IUPACethyl 3-[3-(difluoromethyl)pyrazol-1-yl]cyclobutane-1-carboxylate
SMILESCCOC(=O)C1CC(n2ccc(C(F)F)n2)C1
InChIInChI=1S/C11H14F2N2O2/c1-2-17-11(16)7-5-8(6-7)15-4-3-9(14-15)10(12)13/h3-4,7-8,10H,2,5-6H2,1H3
InChIKeyKSJFOHSBMZBTRJ-UHFFFAOYSA-N
MW244.24 g/mol
LogP2.33
Rot. Bonds4

About ethyl 3-[3-(difluoromethyl)pyrazol-1-yl]cyclobutane-1-carboxylate

ethyl 3-[3-(difluoromethyl)pyrazol-1-yl]cyclobutane-1-carboxylate (PubChem CID 156823396) has the molecular formula C11H14F2N2O2 and a molecular weight of 244.24 g/mol. Its IUPAC name is ethyl 3-[3-(difluoromethyl)pyrazol-1-yl]cyclobutane-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-[3-(difluoromethyl)pyrazol-1-yl]cyclobutane-1-carboxylate
PubChem CID156823396
Molecular FormulaC11H14F2N2O2
Molecular Weight244.24 g/mol
Exact Mass244.10
IUPAC Nameethyl 3-[3-(difluoromethyl)pyrazol-1-yl]cyclobutane-1-carboxylate
SMILESCCOC(=O)C1CC(n2ccc(C(F)F)n2)C1
InChIInChI=1S/C11H14F2N2O2/c1-2-17-11(16)7-5-8(6-7)15-4-3-9(14-15)10(12)13/h3-4,7-8,10H,2,5-6H2,1H3
InChIKeyKSJFOHSBMZBTRJ-UHFFFAOYSA-N
XLogP2.33
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[3-(difluoromethyl)pyrazol-1-yl]cyclobutane-1-carboxylate?
The IUPAC name of ethyl 3-[3-(difluoromethyl)pyrazol-1-yl]cyclobutane-1-carboxylate (CID 156823396) is ethyl 3-[3-(difluoromethyl)pyrazol-1-yl]cyclobutane-1-carboxylate.
What is the SMILES notation for ethyl 3-[3-(difluoromethyl)pyrazol-1-yl]cyclobutane-1-carboxylate?
The canonical SMILES for ethyl 3-[3-(difluoromethyl)pyrazol-1-yl]cyclobutane-1-carboxylate is CCOC(=O)C1CC(n2ccc(C(F)F)n2)C1.
What is the InChIKey of ethyl 3-[3-(difluoromethyl)pyrazol-1-yl]cyclobutane-1-carboxylate?
The InChIKey is KSJFOHSBMZBTRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O2/c1-2-17-11(16)7-5-8(6-7)15-4-3-9(14-15)10(12)13/h3-4,7-8,10H,2,5-6H2,1H3.
What are the key properties of ethyl 3-[3-(difluoromethyl)pyrazol-1-yl]cyclobutane-1-carboxylate?
ethyl 3-[3-(difluoromethyl)pyrazol-1-yl]cyclobutane-1-carboxylate has a molecular weight of 244.24 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[3-(difluoromethyl)pyrazol-1-yl]cyclobutane-1-carboxylate is sourced from PubChem (CID 156823396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).