2-hydroxy-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]cyclopentane-1-carboxamide

C16H16F3N3O2 — CID 110014624

IUPAC2-hydroxy-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]cyclopentane-1-carboxamide
SMILESO=C(Nc1cnn(-c2cccc(C(F)(F)F)c2)c1)C1CCCC1O
InChIInChI=1S/C16H16F3N3O2/c17-16(18,19)10-3-1-4-12(7-10)22-9-11(8-20-22)21-15(24)13-5-2-6-14(13)23/h1,3-4,7-9,13-14,23H,2,5-6H2,(H,21,24)
InChIKeyIOFFUTPWUMWISG-UHFFFAOYSA-N
MW339.32 g/mol
LogP2.99
Rot. Bonds3

About 2-hydroxy-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]cyclopentane-1-carboxamide

2-hydroxy-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]cyclopentane-1-carboxamide (PubChem CID 110014624) has the molecular formula C16H16F3N3O2 and a molecular weight of 339.32 g/mol. Its IUPAC name is 2-hydroxy-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-hydroxy-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]cyclopentane-1-carboxamide
PubChem CID110014624
Molecular FormulaC16H16F3N3O2
Molecular Weight339.32 g/mol
Exact Mass339.12
IUPAC Name2-hydroxy-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]cyclopentane-1-carboxamide
SMILESO=C(Nc1cnn(-c2cccc(C(F)(F)F)c2)c1)C1CCCC1O
InChIInChI=1S/C16H16F3N3O2/c17-16(18,19)10-3-1-4-12(7-10)22-9-11(8-20-22)21-15(24)13-5-2-6-14(13)23/h1,3-4,7-9,13-14,23H,2,5-6H2,(H,21,24)
InChIKeyIOFFUTPWUMWISG-UHFFFAOYSA-N
XLogP2.99
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]cyclopentane-1-carboxamide?
The IUPAC name of 2-hydroxy-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]cyclopentane-1-carboxamide (CID 110014624) is 2-hydroxy-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]cyclopentane-1-carboxamide.
What is the SMILES notation for 2-hydroxy-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]cyclopentane-1-carboxamide?
The canonical SMILES for 2-hydroxy-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]cyclopentane-1-carboxamide is O=C(Nc1cnn(-c2cccc(C(F)(F)F)c2)c1)C1CCCC1O.
What is the InChIKey of 2-hydroxy-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]cyclopentane-1-carboxamide?
The InChIKey is IOFFUTPWUMWISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O2/c17-16(18,19)10-3-1-4-12(7-10)22-9-11(8-20-22)21-15(24)13-5-2-6-14(13)23/h1,3-4,7-9,13-14,23H,2,5-6H2,(H,21,24).
What are the key properties of 2-hydroxy-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]cyclopentane-1-carboxamide?
2-hydroxy-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]cyclopentane-1-carboxamide has a molecular weight of 339.32 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]cyclopentane-1-carboxamide is sourced from PubChem (CID 110014624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).