2,4,5-trifluoro-3-methoxy-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide

C18H16F3N5O2 — CID 122300701

IUPAC2,4,5-trifluoro-3-methoxy-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide
SMILESCOc1c(F)c(F)cc(C(=O)Nc2cnc(-n3nc(C)c(C)c3C)nc2)c1F
InChIInChI=1S/C18H16F3N5O2/c1-8-9(2)25-26(10(8)3)18-22-6-11(7-23-18)24-17(27)12-5-13(19)15(21)16(28-4)14(12)20/h5-7H,1-4H3,(H,24,27)
InChIKeyGRLCUSBONYMOTK-UHFFFAOYSA-N
MW391.35 g/mol
LogP3.27
Rot. Bonds4

About 2,4,5-trifluoro-3-methoxy-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide

2,4,5-trifluoro-3-methoxy-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide (PubChem CID 122300701) has the molecular formula C18H16F3N5O2 and a molecular weight of 391.35 g/mol. Its IUPAC name is 2,4,5-trifluoro-3-methoxy-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide.

Molecular Properties

Compound Name2,4,5-trifluoro-3-methoxy-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide
PubChem CID122300701
Molecular FormulaC18H16F3N5O2
Molecular Weight391.35 g/mol
Exact Mass391.13
IUPAC Name2,4,5-trifluoro-3-methoxy-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide
SMILESCOc1c(F)c(F)cc(C(=O)Nc2cnc(-n3nc(C)c(C)c3C)nc2)c1F
InChIInChI=1S/C18H16F3N5O2/c1-8-9(2)25-26(10(8)3)18-22-6-11(7-23-18)24-17(27)12-5-13(19)15(21)16(28-4)14(12)20/h5-7H,1-4H3,(H,24,27)
InChIKeyGRLCUSBONYMOTK-UHFFFAOYSA-N
XLogP3.27
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.35
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 2,4,5-trifluoro-3-methoxy-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide with MolForge

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

Launch Full Analysis

Related Compounds

3,4,5-trimethoxy-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide
CID 121112526
2,6-difluoro-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide
CID 71789825
N-[2-(dimethylamino)pyrimidin-5-yl]-2,4,5-trifluoro-3-methoxybenzamide
CID 122298010
3-fluoro-4-methyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide
CID 122300685
4-(trifluoromethyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide
CID 121112535
4-methyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]thiadiazole-5-carboxamide
CID 71789831
3-bromo-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide
CID 122300762
2-(4-methoxyphenyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]acetamide
CID 121112540
N-(4-bromophenyl)-2,4,5-trifluoro-3-methoxybenzamide
CID 91730460
4-nitro-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide
CID 122300769
N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-2,4,5-trifluoro-3-methoxybenzamide
CID 122356065
1-(2-methoxyphenyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]cyclopropane-1-carboxamide
CID 122300603

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trifluoro-3-methoxy-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide?
The IUPAC name of 2,4,5-trifluoro-3-methoxy-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide (CID 122300701) is 2,4,5-trifluoro-3-methoxy-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide.
What is the SMILES notation for 2,4,5-trifluoro-3-methoxy-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide?
The canonical SMILES for 2,4,5-trifluoro-3-methoxy-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide is COc1c(F)c(F)cc(C(=O)Nc2cnc(-n3nc(C)c(C)c3C)nc2)c1F.
What is the InChIKey of 2,4,5-trifluoro-3-methoxy-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide?
The InChIKey is GRLCUSBONYMOTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N5O2/c1-8-9(2)25-26(10(8)3)18-22-6-11(7-23-18)24-17(27)12-5-13(19)15(21)16(28-4)14(12)20/h5-7H,1-4H3,(H,24,27).
What are the key properties of 2,4,5-trifluoro-3-methoxy-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide?
2,4,5-trifluoro-3-methoxy-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide has a molecular weight of 391.35 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trifluoro-3-methoxy-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide is sourced from PubChem (CID 122300701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).