N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-4-(trifluoromethoxy)benzamide

C18H15F3N4O2 — CID 71797649

IUPACN-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-4-(trifluoromethoxy)benzamide
SMILESCn1nc(CNC(=O)c2ccc(OC(F)(F)F)cc2)cc1-c1ccccn1
InChIInChI=1S/C18H15F3N4O2/c1-25-16(15-4-2-3-9-22-15)10-13(24-25)11-23-17(26)12-5-7-14(8-6-12)27-18(19,20)21/h2-10H,11H2,1H3,(H,23,26)
InChIKeyAKMHOHUJJXCEEW-UHFFFAOYSA-N
MW376.34 g/mol
LogP3.31
Rot. Bonds5

About N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-4-(trifluoromethoxy)benzamide

N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-4-(trifluoromethoxy)benzamide (PubChem CID 71797649) has the molecular formula C18H15F3N4O2 and a molecular weight of 376.34 g/mol. Its IUPAC name is N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-4-(trifluoromethoxy)benzamide
PubChem CID71797649
Molecular FormulaC18H15F3N4O2
Molecular Weight376.34 g/mol
Exact Mass376.11
IUPAC NameN-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-4-(trifluoromethoxy)benzamide
SMILESCn1nc(CNC(=O)c2ccc(OC(F)(F)F)cc2)cc1-c1ccccn1
InChIInChI=1S/C18H15F3N4O2/c1-25-16(15-4-2-3-9-22-15)10-13(24-25)11-23-17(26)12-5-7-14(8-6-12)27-18(19,20)21/h2-10H,11H2,1H3,(H,23,26)
InChIKeyAKMHOHUJJXCEEW-UHFFFAOYSA-N
XLogP3.31
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.34
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-4-(trifluoromethoxy)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-4-(trifluoromethoxy)benzamide (CID 71797649) is N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-4-(trifluoromethoxy)benzamide is Cn1nc(CNC(=O)c2ccc(OC(F)(F)F)cc2)cc1-c1ccccn1.
What is the InChIKey of N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-4-(trifluoromethoxy)benzamide?
The InChIKey is AKMHOHUJJXCEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O2/c1-25-16(15-4-2-3-9-22-15)10-13(24-25)11-23-17(26)12-5-7-14(8-6-12)27-18(19,20)21/h2-10H,11H2,1H3,(H,23,26).
What are the key properties of N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-4-(trifluoromethoxy)benzamide?
N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-4-(trifluoromethoxy)benzamide has a molecular weight of 376.34 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 71797649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).