2-[3,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-N-(3-hydroxy-2-pyridinyl)acetamide

C18H16F3N5O2 — CID 47047947

IUPAC2-[3,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-N-(3-hydroxy-2-pyridinyl)acetamide
SMILESCc1nn(-c2ccc(C(F)(F)F)cn2)c(C)c1CC(=O)Nc1ncccc1O
InChIInChI=1S/C18H16F3N5O2/c1-10-13(8-16(28)24-17-14(27)4-3-7-22-17)11(2)26(25-10)15-6-5-12(9-23-15)18(19,20)21/h3-7,9,27H,8H2,1-2H3,(H,22,24,28)
InChIKeyPYGUQKQOOZYMHE-UHFFFAOYSA-N
MW391.35 g/mol
LogP3.18
Rot. Bonds4

About 2-[3,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-N-(3-hydroxy-2-pyridinyl)acetamide

2-[3,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-N-(3-hydroxy-2-pyridinyl)acetamide (PubChem CID 47047947) has the molecular formula C18H16F3N5O2 and a molecular weight of 391.35 g/mol. Its IUPAC name is 2-[3,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-N-(3-hydroxy-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[3,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-N-(3-hydroxy-2-pyridinyl)acetamide
PubChem CID47047947
Molecular FormulaC18H16F3N5O2
Molecular Weight391.35 g/mol
Exact Mass391.13
IUPAC Name2-[3,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-N-(3-hydroxy-2-pyridinyl)acetamide
SMILESCc1nn(-c2ccc(C(F)(F)F)cn2)c(C)c1CC(=O)Nc1ncccc1O
InChIInChI=1S/C18H16F3N5O2/c1-10-13(8-16(28)24-17-14(27)4-3-7-22-17)11(2)26(25-10)15-6-5-12(9-23-15)18(19,20)21/h3-7,9,27H,8H2,1-2H3,(H,22,24,28)
InChIKeyPYGUQKQOOZYMHE-UHFFFAOYSA-N
XLogP3.18
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.35
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-N-(3-hydroxy-2-pyridinyl)acetamide?
The IUPAC name of 2-[3,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-N-(3-hydroxy-2-pyridinyl)acetamide (CID 47047947) is 2-[3,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-N-(3-hydroxy-2-pyridinyl)acetamide.
What is the SMILES notation for 2-[3,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-N-(3-hydroxy-2-pyridinyl)acetamide?
The canonical SMILES for 2-[3,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-N-(3-hydroxy-2-pyridinyl)acetamide is Cc1nn(-c2ccc(C(F)(F)F)cn2)c(C)c1CC(=O)Nc1ncccc1O.
What is the InChIKey of 2-[3,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-N-(3-hydroxy-2-pyridinyl)acetamide?
The InChIKey is PYGUQKQOOZYMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N5O2/c1-10-13(8-16(28)24-17-14(27)4-3-7-22-17)11(2)26(25-10)15-6-5-12(9-23-15)18(19,20)21/h3-7,9,27H,8H2,1-2H3,(H,22,24,28).
What are the key properties of 2-[3,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-N-(3-hydroxy-2-pyridinyl)acetamide?
2-[3,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-N-(3-hydroxy-2-pyridinyl)acetamide has a molecular weight of 391.35 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-N-(3-hydroxy-2-pyridinyl)acetamide is sourced from PubChem (CID 47047947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).