N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclobutanecarboxamide

C11H14F3N3O — CID 71808000

IUPACN-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclobutanecarboxamide
SMILESO=C(NCCn1ccc(C(F)(F)F)n1)C1CCC1
InChIInChI=1S/C11H14F3N3O/c12-11(13,14)9-4-6-17(16-9)7-5-15-10(18)8-2-1-3-8/h4,6,8H,1-3,5,7H2,(H,15,18)
InChIKeyKDAIIZWFDXPGTQ-UHFFFAOYSA-N
MW261.25 g/mol
LogP1.82
Rot. Bonds4

About N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclobutanecarboxamide

N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclobutanecarboxamide (PubChem CID 71808000) has the molecular formula C11H14F3N3O and a molecular weight of 261.25 g/mol. Its IUPAC name is N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclobutanecarboxamide
PubChem CID71808000
Molecular FormulaC11H14F3N3O
Molecular Weight261.25 g/mol
Exact Mass261.11
IUPAC NameN-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclobutanecarboxamide
SMILESO=C(NCCn1ccc(C(F)(F)F)n1)C1CCC1
InChIInChI=1S/C11H14F3N3O/c12-11(13,14)9-4-6-17(16-9)7-5-15-10(18)8-2-1-3-8/h4,6,8H,1-3,5,7H2,(H,15,18)
InChIKeyKDAIIZWFDXPGTQ-UHFFFAOYSA-N
XLogP1.82
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclobutanecarboxamide?
The IUPAC name of N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclobutanecarboxamide (CID 71808000) is N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclobutanecarboxamide?
The canonical SMILES for N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclobutanecarboxamide is O=C(NCCn1ccc(C(F)(F)F)n1)C1CCC1.
What is the InChIKey of N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclobutanecarboxamide?
The InChIKey is KDAIIZWFDXPGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O/c12-11(13,14)9-4-6-17(16-9)7-5-15-10(18)8-2-1-3-8/h4,6,8H,1-3,5,7H2,(H,15,18).
What are the key properties of N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclobutanecarboxamide?
N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclobutanecarboxamide has a molecular weight of 261.25 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclobutanecarboxamide is sourced from PubChem (CID 71808000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).