N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]cyclopentanecarboxamide

C11H14F3N3O — CID 75358383

IUPACN-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]cyclopentanecarboxamide
SMILESO=C(Nc1cnn(CC(F)(F)F)c1)C1CCCC1
InChIInChI=1S/C11H14F3N3O/c12-11(13,14)7-17-6-9(5-15-17)16-10(18)8-3-1-2-4-8/h5-6,8H,1-4,7H2,(H,16,18)
InChIKeyXJWYQZAGHCCRGI-UHFFFAOYSA-N
MW261.25 g/mol
LogP2.57
Rot. Bonds3

About N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]cyclopentanecarboxamide

N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]cyclopentanecarboxamide (PubChem CID 75358383) has the molecular formula C11H14F3N3O and a molecular weight of 261.25 g/mol. Its IUPAC name is N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]cyclopentanecarboxamide
PubChem CID75358383
Molecular FormulaC11H14F3N3O
Molecular Weight261.25 g/mol
Exact Mass261.11
IUPAC NameN-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]cyclopentanecarboxamide
SMILESO=C(Nc1cnn(CC(F)(F)F)c1)C1CCCC1
InChIInChI=1S/C11H14F3N3O/c12-11(13,14)7-17-6-9(5-15-17)16-10(18)8-3-1-2-4-8/h5-6,8H,1-4,7H2,(H,16,18)
InChIKeyXJWYQZAGHCCRGI-UHFFFAOYSA-N
XLogP2.57
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]cyclopentanecarboxamide?
The IUPAC name of N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]cyclopentanecarboxamide (CID 75358383) is N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]cyclopentanecarboxamide is O=C(Nc1cnn(CC(F)(F)F)c1)C1CCCC1.
What is the InChIKey of N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]cyclopentanecarboxamide?
The InChIKey is XJWYQZAGHCCRGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O/c12-11(13,14)7-17-6-9(5-15-17)16-10(18)8-3-1-2-4-8/h5-6,8H,1-4,7H2,(H,16,18).
What are the key properties of N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]cyclopentanecarboxamide?
N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]cyclopentanecarboxamide has a molecular weight of 261.25 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]cyclopentanecarboxamide is sourced from PubChem (CID 75358383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).