N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide

C17H19F3N4O3 — CID 166286137

IUPACN-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESO=C(Cn1cccc(C(F)(F)F)c1=O)N[C@@H]1CC(Cn2cccn2)C[C@H]1O
InChIInChI=1S/C17H19F3N4O3/c18-17(19,20)12-3-1-5-23(16(12)27)10-15(26)22-13-7-11(8-14(13)25)9-24-6-2-4-21-24/h1-6,11,13-14,25H,7-10H2,(H,22,26)/t11?,13-,14-/m1/s1
InChIKeyHJJVZMZSGCZVHA-HIDCPEKUSA-N
MW384.36 g/mol
LogP1.02
Rot. Bonds5

About N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide

N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 166286137) has the molecular formula C17H19F3N4O3 and a molecular weight of 384.36 g/mol. Its IUPAC name is N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID166286137
Molecular FormulaC17H19F3N4O3
Molecular Weight384.36 g/mol
Exact Mass384.14
IUPAC NameN-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESO=C(Cn1cccc(C(F)(F)F)c1=O)N[C@@H]1CC(Cn2cccn2)C[C@H]1O
InChIInChI=1S/C17H19F3N4O3/c18-17(19,20)12-3-1-5-23(16(12)27)10-15(26)22-13-7-11(8-14(13)25)9-24-6-2-4-21-24/h1-6,11,13-14,25H,7-10H2,(H,22,26)/t11?,13-,14-/m1/s1
InChIKeyHJJVZMZSGCZVHA-HIDCPEKUSA-N
XLogP1.02
TPSA89.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.36
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide (CID 166286137) is N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide is O=C(Cn1cccc(C(F)(F)F)c1=O)N[C@@H]1CC(Cn2cccn2)C[C@H]1O.
What is the InChIKey of N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is HJJVZMZSGCZVHA-HIDCPEKUSA-N. The full InChI is InChI=1S/C17H19F3N4O3/c18-17(19,20)12-3-1-5-23(16(12)27)10-15(26)22-13-7-11(8-14(13)25)9-24-6-2-4-21-24/h1-6,11,13-14,25H,7-10H2,(H,22,26)/t11?,13-,14-/m1/s1.
What are the key properties of N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide has a molecular weight of 384.36 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 166286137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).