[2-methyl-5-[4-[2-methyl-4-(trifluoromethoxy)phenyl]triazol-2-yl]phenyl]methylcarbamic acid

C19H17F3N4O3 — CID 141403897

IUPAC[2-methyl-5-[4-[2-methyl-4-(trifluoromethoxy)phenyl]triazol-2-yl]phenyl]methylcarbamic acid
SMILESCc1ccc(-n2ncc(-c3ccc(OC(F)(F)F)cc3C)n2)cc1CNC(=O)O
InChIInChI=1S/C19H17F3N4O3/c1-11-3-4-14(8-13(11)9-23-18(27)28)26-24-10-17(25-26)16-6-5-15(7-12(16)2)29-19(20,21)22/h3-8,10,23H,9H2,1-2H3,(H,27,28)
InChIKeyDGLCPGHMHSDCBC-UHFFFAOYSA-N
MW406.36 g/mol
LogP4.22
Rot. Bonds5

About [2-methyl-5-[4-[2-methyl-4-(trifluoromethoxy)phenyl]triazol-2-yl]phenyl]methylcarbamic acid

[2-methyl-5-[4-[2-methyl-4-(trifluoromethoxy)phenyl]triazol-2-yl]phenyl]methylcarbamic acid (PubChem CID 141403897) has the molecular formula C19H17F3N4O3 and a molecular weight of 406.36 g/mol. Its IUPAC name is [2-methyl-5-[4-[2-methyl-4-(trifluoromethoxy)phenyl]triazol-2-yl]phenyl]methylcarbamic acid.

Molecular Properties

Compound Name[2-methyl-5-[4-[2-methyl-4-(trifluoromethoxy)phenyl]triazol-2-yl]phenyl]methylcarbamic acid
PubChem CID141403897
Molecular FormulaC19H17F3N4O3
Molecular Weight406.36 g/mol
Exact Mass406.13
IUPAC Name[2-methyl-5-[4-[2-methyl-4-(trifluoromethoxy)phenyl]triazol-2-yl]phenyl]methylcarbamic acid
SMILESCc1ccc(-n2ncc(-c3ccc(OC(F)(F)F)cc3C)n2)cc1CNC(=O)O
InChIInChI=1S/C19H17F3N4O3/c1-11-3-4-14(8-13(11)9-23-18(27)28)26-24-10-17(25-26)16-6-5-15(7-12(16)2)29-19(20,21)22/h3-8,10,23H,9H2,1-2H3,(H,27,28)
InChIKeyDGLCPGHMHSDCBC-UHFFFAOYSA-N
XLogP4.22
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.36
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-methyl-5-[4-[2-methyl-4-(trifluoromethoxy)phenyl]triazol-2-yl]phenyl]methylcarbamic acid 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

methyl N-[[2-methyl-5-[3-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazol-1-yl]phenyl]methyl]carbamate
CID 90109231
3-methyl-5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-c]pyrimidine
CID 142362632
[5-[3-(2,6-dimethyl-3-pyridinyl)pyrazol-1-yl]-2-methylphenyl]methylcarbamic acid
CID 118339243
N,N-dimethyl-5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-b]pyridazine-3-carboxamide
CID 134559785
[3-tert-butyl-1-[3-(trifluoromethoxy)phenyl]pyrazol-5-yl]methylcarbamic acid
CID 70816422
methane;7-[2-methyl-4-(trifluoromethoxy)phenyl]imidazo[1,5-c]pyrimidine
CID 160502176
[2-amino-5-[3-(trifluoromethoxy)phenoxy]phenyl]methylcarbamic acid
CID 68662239
methyl N-[[5-[1-[2,6-difluoro-4-(trifluoromethoxy)phenyl]pyrazol-3-yl]-2-methylphenyl]methyl]carbamate
CID 156783784
[1-[[4-[2-methyl-4-(trifluoromethoxy)phenyl]phenyl]methyl]pyrazol-4-yl]methanol
CID 166351969
2-methyl-5-(trifluoromethoxy)benzoic acid
CID 58839058
N-[[2-methyl-4-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 167530793
1,3-dimethyl-5-[2-methyl-4-(trifluoromethoxy)phenyl]pyrazole
CID 134543652

Frequently Asked Questions

What is the IUPAC name of [2-methyl-5-[4-[2-methyl-4-(trifluoromethoxy)phenyl]triazol-2-yl]phenyl]methylcarbamic acid?
The IUPAC name of [2-methyl-5-[4-[2-methyl-4-(trifluoromethoxy)phenyl]triazol-2-yl]phenyl]methylcarbamic acid (CID 141403897) is [2-methyl-5-[4-[2-methyl-4-(trifluoromethoxy)phenyl]triazol-2-yl]phenyl]methylcarbamic acid.
What is the SMILES notation for [2-methyl-5-[4-[2-methyl-4-(trifluoromethoxy)phenyl]triazol-2-yl]phenyl]methylcarbamic acid?
The canonical SMILES for [2-methyl-5-[4-[2-methyl-4-(trifluoromethoxy)phenyl]triazol-2-yl]phenyl]methylcarbamic acid is Cc1ccc(-n2ncc(-c3ccc(OC(F)(F)F)cc3C)n2)cc1CNC(=O)O.
What is the InChIKey of [2-methyl-5-[4-[2-methyl-4-(trifluoromethoxy)phenyl]triazol-2-yl]phenyl]methylcarbamic acid?
The InChIKey is DGLCPGHMHSDCBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O3/c1-11-3-4-14(8-13(11)9-23-18(27)28)26-24-10-17(25-26)16-6-5-15(7-12(16)2)29-19(20,21)22/h3-8,10,23H,9H2,1-2H3,(H,27,28).
What are the key properties of [2-methyl-5-[4-[2-methyl-4-(trifluoromethoxy)phenyl]triazol-2-yl]phenyl]methylcarbamic acid?
[2-methyl-5-[4-[2-methyl-4-(trifluoromethoxy)phenyl]triazol-2-yl]phenyl]methylcarbamic acid has a molecular weight of 406.36 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-5-[4-[2-methyl-4-(trifluoromethoxy)phenyl]triazol-2-yl]phenyl]methylcarbamic acid is sourced from PubChem (CID 141403897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).