N-[2-(3,5-dimethylpyrazol-1-yl)-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]acetamide

C18H16F3N5O — CID 44589833

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]acetamide
SMILESCC(=O)Nc1cc(-c2cccc(C(F)(F)F)c2)nc(-n2nc(C)cc2C)n1
InChIInChI=1S/C18H16F3N5O/c1-10-7-11(2)26(25-10)17-23-15(9-16(24-17)22-12(3)27)13-5-4-6-14(8-13)18(19,20)21/h4-9H,1-3H3,(H,22,23,24,27)
InChIKeyQLYCOMFUURXRFD-UHFFFAOYSA-N
MW375.35 g/mol
LogP3.92
Rot. Bonds3

About N-[2-(3,5-dimethylpyrazol-1-yl)-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]acetamide

N-[2-(3,5-dimethylpyrazol-1-yl)-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]acetamide (PubChem CID 44589833) has the molecular formula C18H16F3N5O and a molecular weight of 375.35 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]acetamide
PubChem CID44589833
Molecular FormulaC18H16F3N5O
Molecular Weight375.35 g/mol
Exact Mass375.13
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]acetamide
SMILESCC(=O)Nc1cc(-c2cccc(C(F)(F)F)c2)nc(-n2nc(C)cc2C)n1
InChIInChI=1S/C18H16F3N5O/c1-10-7-11(2)26(25-10)17-23-15(9-16(24-17)22-12(3)27)13-5-4-6-14(8-13)18(19,20)21/h4-9H,1-3H3,(H,22,23,24,27)
InChIKeyQLYCOMFUURXRFD-UHFFFAOYSA-N
XLogP3.92
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.35
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(3,5-dimethylpyrazol-1-yl)-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]acetamide 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-[2-(3,5-dimethylpyrazol-1-yl)-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]acetamide?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]acetamide (CID 44589833) is N-[2-(3,5-dimethylpyrazol-1-yl)-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]acetamide.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]acetamide?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]acetamide is CC(=O)Nc1cc(-c2cccc(C(F)(F)F)c2)nc(-n2nc(C)cc2C)n1.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]acetamide?
The InChIKey is QLYCOMFUURXRFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N5O/c1-10-7-11(2)26(25-10)17-23-15(9-16(24-17)22-12(3)27)13-5-4-6-14(8-13)18(19,20)21/h4-9H,1-3H3,(H,22,23,24,27).
What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]acetamide?
N-[2-(3,5-dimethylpyrazol-1-yl)-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]acetamide has a molecular weight of 375.35 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpyrazol-1-yl)-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]acetamide is sourced from PubChem (CID 44589833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).