propyl 4-[[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]benzoate

C17H18F3N3O3 — CID 17026787

IUPACpropyl 4-[[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]benzoate
SMILESCCCOC(=O)c1ccc(NC(=O)Cn2nc(C(F)(F)F)cc2C)cc1
InChIInChI=1S/C17H18F3N3O3/c1-3-8-26-16(25)12-4-6-13(7-5-12)21-15(24)10-23-11(2)9-14(22-23)17(18,19)20/h4-7,9H,3,8,10H2,1-2H3,(H,21,24)
InChIKeyBPNVXFGTBGQYIO-UHFFFAOYSA-N
MW369.34 g/mol
LogP3.42
Rot. Bonds6

About propyl 4-[[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]benzoate

propyl 4-[[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]benzoate (PubChem CID 17026787) has the molecular formula C17H18F3N3O3 and a molecular weight of 369.34 g/mol. Its IUPAC name is propyl 4-[[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]benzoate.

Molecular Properties

Compound Namepropyl 4-[[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]benzoate
PubChem CID17026787
Molecular FormulaC17H18F3N3O3
Molecular Weight369.34 g/mol
Exact Mass369.13
IUPAC Namepropyl 4-[[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]benzoate
SMILESCCCOC(=O)c1ccc(NC(=O)Cn2nc(C(F)(F)F)cc2C)cc1
InChIInChI=1S/C17H18F3N3O3/c1-3-8-26-16(25)12-4-6-13(7-5-12)21-15(24)10-23-11(2)9-14(22-23)17(18,19)20/h4-7,9H,3,8,10H2,1-2H3,(H,21,24)
InChIKeyBPNVXFGTBGQYIO-UHFFFAOYSA-N
XLogP3.42
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.34
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze propyl 4-[[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]benzoate 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

ethyl 4-(3,5-dimethyl-1H-pyrazol-1-yl)benzoate
CID 2741137
[2-(2-Fluoroanilino)-2-oxoethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate
CID 4791006
Ethyl 3-(3-methyl-1-phenyl-1H-pyrazole-5-amido)benzoate
CID 20861278
Ethyl 4-[[2-(benzotriazol-1-yl)acetyl]amino]benzoate
CID 657481
4-[(2-Ethyl-2H-pyrazole-3-carbonyl)-amino]-benzoic acid isopropyl ester
CID 841888
ethyl 1-methyl-3-(3-toluidinocarbonyl)-1H-pyrazole-5-carboxylate
CID 843036
isopropyl 4-{[(4-bromo-1-ethyl-1H-pyrazol-3-yl)carbonyl]amino}benzoate
CID 1226242
butyl 4-[({[(4-bromo-1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]amino}carbothioyl)amino]benzoate
CID 1764318
ethyl 4-{[(4-bromo-1-ethyl-1H-pyrazol-3-yl)carbonyl]amino}benzoate
CID 1301789
methyl 2-({[3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1(4H)-yl]acetyl}amino)benzoate
CID 645386
4-(3-Benzotriazol-1-yl-propionylamino)-benzoic acid ethyl ester
CID 863081
ethyl 4-({[(1,3,5-trimethyl-1H-pyrazol-4-yl)amino]carbonyl}amino)benzoate
CID 972049

Frequently Asked Questions

What is the IUPAC name of propyl 4-[[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]benzoate?
The IUPAC name of propyl 4-[[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]benzoate (CID 17026787) is propyl 4-[[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]benzoate.
What is the SMILES notation for propyl 4-[[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]benzoate?
The canonical SMILES for propyl 4-[[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]benzoate is CCCOC(=O)c1ccc(NC(=O)Cn2nc(C(F)(F)F)cc2C)cc1.
What is the InChIKey of propyl 4-[[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]benzoate?
The InChIKey is BPNVXFGTBGQYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O3/c1-3-8-26-16(25)12-4-6-13(7-5-12)21-15(24)10-23-11(2)9-14(22-23)17(18,19)20/h4-7,9H,3,8,10H2,1-2H3,(H,21,24).
What are the key properties of propyl 4-[[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]benzoate?
propyl 4-[[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]benzoate has a molecular weight of 369.34 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-[[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]benzoate is sourced from PubChem (CID 17026787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).