N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-N-(2-pyridin-2-ylphenyl)acetamide

C25H20F3N5O — CID 67115337

IUPACN-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-N-(2-pyridin-2-ylphenyl)acetamide
SMILESCC(=O)N(c1ccc(-n2nc(C(F)(F)F)cc2C2CC2)nc1)c1ccccc1-c1ccccn1
InChIInChI=1S/C25H20F3N5O/c1-16(34)32(21-8-3-2-6-19(21)20-7-4-5-13-29-20)18-11-12-24(30-15-18)33-22(17-9-10-17)14-23(31-33)25(26,27)28/h2-8,11-15,17H,9-10H2,1H3
InChIKeyARYZSGOUTNTKPA-UHFFFAOYSA-N
MW463.46 g/mol
LogP5.91
Rot. Bonds5

About N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-N-(2-pyridin-2-ylphenyl)acetamide

N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-N-(2-pyridin-2-ylphenyl)acetamide (PubChem CID 67115337) has the molecular formula C25H20F3N5O and a molecular weight of 463.46 g/mol. Its IUPAC name is N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-N-(2-pyridin-2-ylphenyl)acetamide.

Molecular Properties

Compound NameN-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-N-(2-pyridin-2-ylphenyl)acetamide
PubChem CID67115337
Molecular FormulaC25H20F3N5O
Molecular Weight463.46 g/mol
Exact Mass463.16
IUPAC NameN-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-N-(2-pyridin-2-ylphenyl)acetamide
SMILESCC(=O)N(c1ccc(-n2nc(C(F)(F)F)cc2C2CC2)nc1)c1ccccc1-c1ccccn1
InChIInChI=1S/C25H20F3N5O/c1-16(34)32(21-8-3-2-6-19(21)20-7-4-5-13-29-20)18-11-12-24(30-15-18)33-22(17-9-10-17)14-23(31-33)25(26,27)28/h2-8,11-15,17H,9-10H2,1H3
InChIKeyARYZSGOUTNTKPA-UHFFFAOYSA-N
XLogP5.91
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.46
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-N-(2-pyridin-2-ylphenyl)acetamide?
The IUPAC name of N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-N-(2-pyridin-2-ylphenyl)acetamide (CID 67115337) is N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-N-(2-pyridin-2-ylphenyl)acetamide.
What is the SMILES notation for N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-N-(2-pyridin-2-ylphenyl)acetamide?
The canonical SMILES for N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-N-(2-pyridin-2-ylphenyl)acetamide is CC(=O)N(c1ccc(-n2nc(C(F)(F)F)cc2C2CC2)nc1)c1ccccc1-c1ccccn1.
What is the InChIKey of N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-N-(2-pyridin-2-ylphenyl)acetamide?
The InChIKey is ARYZSGOUTNTKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F3N5O/c1-16(34)32(21-8-3-2-6-19(21)20-7-4-5-13-29-20)18-11-12-24(30-15-18)33-22(17-9-10-17)14-23(31-33)25(26,27)28/h2-8,11-15,17H,9-10H2,1H3.
What are the key properties of N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-N-(2-pyridin-2-ylphenyl)acetamide?
N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-N-(2-pyridin-2-ylphenyl)acetamide has a molecular weight of 463.46 g/mol, XLogP of 5.91, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-N-(2-pyridin-2-ylphenyl)acetamide is sourced from PubChem (CID 67115337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).