methyl 2-[[5-methyl-2-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]amino]benzoate

C19H16F3N3O2 — CID 59286327

IUPACmethyl 2-[[5-methyl-2-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]amino]benzoate
SMILESCOC(=O)c1ccccc1Nc1cc(C)nn1-c1ccccc1C(F)(F)F
InChIInChI=1S/C19H16F3N3O2/c1-12-11-17(23-15-9-5-3-7-13(15)18(26)27-2)25(24-12)16-10-6-4-8-14(16)19(20,21)22/h3-11,23H,1-2H3
InChIKeyRVWCGZMAASXGMB-UHFFFAOYSA-N
MW375.35 g/mol
LogP4.73
Rot. Bonds4

About methyl 2-[[5-methyl-2-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]amino]benzoate

methyl 2-[[5-methyl-2-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]amino]benzoate (PubChem CID 59286327) has the molecular formula C19H16F3N3O2 and a molecular weight of 375.35 g/mol. Its IUPAC name is methyl 2-[[5-methyl-2-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[5-methyl-2-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]amino]benzoate
PubChem CID59286327
Molecular FormulaC19H16F3N3O2
Molecular Weight375.35 g/mol
Exact Mass375.12
IUPAC Namemethyl 2-[[5-methyl-2-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]amino]benzoate
SMILESCOC(=O)c1ccccc1Nc1cc(C)nn1-c1ccccc1C(F)(F)F
InChIInChI=1S/C19H16F3N3O2/c1-12-11-17(23-15-9-5-3-7-13(15)18(26)27-2)25(24-12)16-10-6-4-8-14(16)19(20,21)22/h3-11,23H,1-2H3
InChIKeyRVWCGZMAASXGMB-UHFFFAOYSA-N
XLogP4.73
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.35
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[5-methyl-2-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]amino]benzoate with MolForge

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Related Compounds

2-{[1-(4-methoxyphenyl)-3-methyl-1H-pyrazol-5-yl]amino}benzoic acid
CID 2727739
2-((1-(3-Chlorophenyl)-3-methyl-1H-pyrazol-5-yl)amino)benzoic acid
CID 2727740
Methyl 2-({[7-(difluoromethyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)benzoate
CID 1093900
N-(1,3-Dimethyl-5-pyrazolyl)anthranilic acid
CID 615796
Methyl 2-[[2-(1,3,4-trimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl)acetyl]amino]benzoate
CID 16026209
3-amino-2,6-diphenylpyrano[4,3-c]pyrazol-4(2H)-one
CID 902166
Methyl 2-({[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)benzoate
CID 2980952
Methyl 2-[(2,5-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]benzoate
CID 5308141
Ethyl 2-[(2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]benzoate
CID 5308692
4-(5-Anilino-3-methylpyrazol-1-yl)benzoic acid
CID 2381081
2-{[3-methyl-1-(4-nitrophenyl)-1H-pyrazol-5-yl]amino}benzoic acid
CID 2727742
3-amino-6-(4-methylphenyl)-2-phenylpyrano[4,3-c]pyrazol-4(2H)-one
CID 902164

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[5-methyl-2-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]amino]benzoate?
The IUPAC name of methyl 2-[[5-methyl-2-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]amino]benzoate (CID 59286327) is methyl 2-[[5-methyl-2-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]amino]benzoate.
What is the SMILES notation for methyl 2-[[5-methyl-2-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]amino]benzoate?
The canonical SMILES for methyl 2-[[5-methyl-2-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]amino]benzoate is COC(=O)c1ccccc1Nc1cc(C)nn1-c1ccccc1C(F)(F)F.
What is the InChIKey of methyl 2-[[5-methyl-2-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]amino]benzoate?
The InChIKey is RVWCGZMAASXGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O2/c1-12-11-17(23-15-9-5-3-7-13(15)18(26)27-2)25(24-12)16-10-6-4-8-14(16)19(20,21)22/h3-11,23H,1-2H3.
What are the key properties of methyl 2-[[5-methyl-2-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]amino]benzoate?
methyl 2-[[5-methyl-2-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]amino]benzoate has a molecular weight of 375.35 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[5-methyl-2-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]amino]benzoate is sourced from PubChem (CID 59286327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).