2-chloro-6-fluoro-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]benzamide

C14H7ClF4N4O — CID 91629068

IUPAC2-chloro-6-fluoro-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]benzamide
SMILESO=C(Nc1cnc2cc(C(F)(F)F)nn2c1)c1c(F)cccc1Cl
InChIInChI=1S/C14H7ClF4N4O/c15-8-2-1-3-9(16)12(8)13(24)21-7-5-20-11-4-10(14(17,18)19)22-23(11)6-7/h1-6H,(H,21,24)
InChIKeyXEGNMQRKUQNRAW-UHFFFAOYSA-N
MW358.68 g/mol
LogP3.79
Rot. Bonds2

About 2-chloro-6-fluoro-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]benzamide

2-chloro-6-fluoro-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]benzamide (PubChem CID 91629068) has the molecular formula C14H7ClF4N4O and a molecular weight of 358.68 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]benzamide
PubChem CID91629068
Molecular FormulaC14H7ClF4N4O
Molecular Weight358.68 g/mol
Exact Mass358.02
IUPAC Name2-chloro-6-fluoro-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]benzamide
SMILESO=C(Nc1cnc2cc(C(F)(F)F)nn2c1)c1c(F)cccc1Cl
InChIInChI=1S/C14H7ClF4N4O/c15-8-2-1-3-9(16)12(8)13(24)21-7-5-20-11-4-10(14(17,18)19)22-23(11)6-7/h1-6H,(H,21,24)
InChIKeyXEGNMQRKUQNRAW-UHFFFAOYSA-N
XLogP3.79
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.68
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-chloro-6-fluoro-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-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

2-phenyl-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]triazole-4-carboxamide
CID 91629059
3-cyano-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]benzamide
CID 91629091
N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]-2,1,3-benzothiadiazole-5-carboxamide
CID 91629093
2-chloro-6-fluoro-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]benzamide
CID 95741363
2-chloro-N-(3,4-dichlorophenyl)-6-fluorobenzamide
CID 26085744
2-chloro-6-fluoro-N-pyridin-4-ylbenzamide
CID 25236808
2-chloro-6-fluoro-N-[1-(2-phenylethyl)pyrazol-4-yl]benzamide
CID 95744763
3-[(2-chloro-6-fluorobenzoyl)amino]benzoyl chloride
CID 23150024
N-(5-anilino-2-pyridinyl)-2-chloro-6-fluorobenzamide
CID 113031217
2-chloro-6-fluoro-N-(6-oxo-1H-pyridin-3-yl)benzamide
CID 110724904
2-chloro-6-fluoro-N-[6-(4-propan-2-ylanilino)-3-pyridinyl]benzamide
CID 113017839
N-(1,3-benzoxazol-6-yl)-2-chloro-6-fluorobenzamide
CID 110728878

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]benzamide (CID 91629068) is 2-chloro-6-fluoro-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]benzamide is O=C(Nc1cnc2cc(C(F)(F)F)nn2c1)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-6-fluoro-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]benzamide?
The InChIKey is XEGNMQRKUQNRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7ClF4N4O/c15-8-2-1-3-9(16)12(8)13(24)21-7-5-20-11-4-10(14(17,18)19)22-23(11)6-7/h1-6H,(H,21,24).
What are the key properties of 2-chloro-6-fluoro-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]benzamide?
2-chloro-6-fluoro-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]benzamide has a molecular weight of 358.68 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]benzamide is sourced from PubChem (CID 91629068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).