N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-2-methyl-5-(trifluoromethyl)pyridine-3-carboxamide

C17H19F3N4O2 — CID 146113852

IUPACN-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-2-methyl-5-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1ncc(C(F)(F)F)cc1C(=O)N[C@@H]1CC(Cn2cccn2)C[C@H]1O
InChIInChI=1S/C17H19F3N4O2/c1-10-13(7-12(8-21-10)17(18,19)20)16(26)23-14-5-11(6-15(14)25)9-24-4-2-3-22-24/h2-4,7-8,11,14-15,25H,5-6,9H2,1H3,(H,23,26)/t11?,14-,15-/m1/s1
InChIKeyCMZQVCHIZZEFAN-PJYWTSEFSA-N
MW368.36 g/mol
LogP2.17
Rot. Bonds4

About N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-2-methyl-5-(trifluoromethyl)pyridine-3-carboxamide

N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-2-methyl-5-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 146113852) has the molecular formula C17H19F3N4O2 and a molecular weight of 368.36 g/mol. Its IUPAC name is N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-2-methyl-5-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-2-methyl-5-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID146113852
Molecular FormulaC17H19F3N4O2
Molecular Weight368.36 g/mol
Exact Mass368.15
IUPAC NameN-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-2-methyl-5-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1ncc(C(F)(F)F)cc1C(=O)N[C@@H]1CC(Cn2cccn2)C[C@H]1O
InChIInChI=1S/C17H19F3N4O2/c1-10-13(7-12(8-21-10)17(18,19)20)16(26)23-14-5-11(6-15(14)25)9-24-4-2-3-22-24/h2-4,7-8,11,14-15,25H,5-6,9H2,1H3,(H,23,26)/t11?,14-,15-/m1/s1
InChIKeyCMZQVCHIZZEFAN-PJYWTSEFSA-N
XLogP2.17
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-2-methyl-5-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-2-methyl-5-(trifluoromethyl)pyridine-3-carboxamide (CID 146113852) is N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-2-methyl-5-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-2-methyl-5-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-2-methyl-5-(trifluoromethyl)pyridine-3-carboxamide is Cc1ncc(C(F)(F)F)cc1C(=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-methyl-5-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is CMZQVCHIZZEFAN-PJYWTSEFSA-N. The full InChI is InChI=1S/C17H19F3N4O2/c1-10-13(7-12(8-21-10)17(18,19)20)16(26)23-14-5-11(6-15(14)25)9-24-4-2-3-22-24/h2-4,7-8,11,14-15,25H,5-6,9H2,1H3,(H,23,26)/t11?,14-,15-/m1/s1.
What are the key properties of N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-2-methyl-5-(trifluoromethyl)pyridine-3-carboxamide?
N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-2-methyl-5-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 368.36 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-2-methyl-5-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 146113852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).