4-[5-amino-3-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]-N-(3-chloro-4-methoxyphenyl)benzamide

C24H18ClF3N4O2 — CID 44763191

IUPAC4-[5-amino-3-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]-N-(3-chloro-4-methoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(-n3nc(-c4cccc(C(F)(F)F)c4)cc3N)cc2)cc1Cl
InChIInChI=1S/C24H18ClF3N4O2/c1-34-21-10-7-17(12-19(21)25)30-23(33)14-5-8-18(9-6-14)32-22(29)13-20(31-32)15-3-2-4-16(11-15)24(26,27)28/h2-13H,29H2,1H3,(H,30,33)
InChIKeyPASRXGJRCUADBA-UHFFFAOYSA-N
MW486.88 g/mol
LogP6.05
Rot. Bonds5

About 4-[5-amino-3-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]-N-(3-chloro-4-methoxyphenyl)benzamide

4-[5-amino-3-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]-N-(3-chloro-4-methoxyphenyl)benzamide (PubChem CID 44763191) has the molecular formula C24H18ClF3N4O2 and a molecular weight of 486.88 g/mol. Its IUPAC name is 4-[5-amino-3-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]-N-(3-chloro-4-methoxyphenyl)benzamide.

Molecular Properties

Compound Name4-[5-amino-3-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]-N-(3-chloro-4-methoxyphenyl)benzamide
PubChem CID44763191
Molecular FormulaC24H18ClF3N4O2
Molecular Weight486.88 g/mol
Exact Mass486.11
IUPAC Name4-[5-amino-3-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]-N-(3-chloro-4-methoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(-n3nc(-c4cccc(C(F)(F)F)c4)cc3N)cc2)cc1Cl
InChIInChI=1S/C24H18ClF3N4O2/c1-34-21-10-7-17(12-19(21)25)30-23(33)14-5-8-18(9-6-14)32-22(29)13-20(31-32)15-3-2-4-16(11-15)24(26,27)28/h2-13H,29H2,1H3,(H,30,33)
InChIKeyPASRXGJRCUADBA-UHFFFAOYSA-N
XLogP6.05
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.88
LogP ≤ 56.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-chlorophenyl)-N-(4-methoxyphenyl)-1-(6-methoxypyridazin-3-yl)pyrazole-3-carboxamide
CID 71697666
N-[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]-3-chlorobenzamide
CID 45935212
3-[1-(6-chloropyridazin-3-yl)-5-(4-fluorophenyl)pyrazol-3-yl]-N-(4-methoxyphenyl)propanamide
CID 56641888
N-ethyl-N-[2-[[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-3,5-bis(trifluoromethyl)benzamide
CID 3925140
N-[3-(4-Chlorophenyl)-1-(4-methoxyphenyl)-1H-pyrazol-5-YL]-4-fluorobenzamide
CID 24720476
4-[5-amino-3-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]-N-(4-phenoxyphenyl)benzamide
CID 44763167
4-[5-amino-3-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]-N-[(4-methoxyphenyl)methyl]benzamide
CID 44763242
N-[1-(2,5-Dichlorophenyl)-3-(4-methoxyphenyl)-1H-pyrazol-5-YL]-3-(trifluoromethyl)benzamide
CID 46087781
N-[1-(2,5-Dichlorophenyl)-3-(4-methoxyphenyl)-1H-pyrazol-5-YL]-3-fluorobenzamide
CID 46087918
3,4-difluoro-N-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]benzamide
CID 46088018
4-Fluoro-N-[1-(4-methoxyphenyl)-3-phenyl-1H-pyrazol-5-YL]-3-(trifluoromethyl)benzamide
CID 46088019
N-[3-(4-Chlorophenyl)-1-(4-methoxyphenyl)-1H-pyrazol-5-YL]-3-fluoro-5-(trifluoromethyl)benzamide
CID 46088030

Frequently Asked Questions

What is the IUPAC name of 4-[5-amino-3-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]-N-(3-chloro-4-methoxyphenyl)benzamide?
The IUPAC name of 4-[5-amino-3-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]-N-(3-chloro-4-methoxyphenyl)benzamide (CID 44763191) is 4-[5-amino-3-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]-N-(3-chloro-4-methoxyphenyl)benzamide.
What is the SMILES notation for 4-[5-amino-3-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]-N-(3-chloro-4-methoxyphenyl)benzamide?
The canonical SMILES for 4-[5-amino-3-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]-N-(3-chloro-4-methoxyphenyl)benzamide is COc1ccc(NC(=O)c2ccc(-n3nc(-c4cccc(C(F)(F)F)c4)cc3N)cc2)cc1Cl.
What is the InChIKey of 4-[5-amino-3-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]-N-(3-chloro-4-methoxyphenyl)benzamide?
The InChIKey is PASRXGJRCUADBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClF3N4O2/c1-34-21-10-7-17(12-19(21)25)30-23(33)14-5-8-18(9-6-14)32-22(29)13-20(31-32)15-3-2-4-16(11-15)24(26,27)28/h2-13H,29H2,1H3,(H,30,33).
What are the key properties of 4-[5-amino-3-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]-N-(3-chloro-4-methoxyphenyl)benzamide?
4-[5-amino-3-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]-N-(3-chloro-4-methoxyphenyl)benzamide has a molecular weight of 486.88 g/mol, XLogP of 6.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-amino-3-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]-N-(3-chloro-4-methoxyphenyl)benzamide is sourced from PubChem (CID 44763191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).