methyl 1-[(4-chloro-2-methylphenyl)methyl]-6-(trifluoromethyl)indazole-3-carboxylate

C18H14ClF3N2O2 — CID 11668080

IUPACmethyl 1-[(4-chloro-2-methylphenyl)methyl]-6-(trifluoromethyl)indazole-3-carboxylate
SMILESCOC(=O)c1nn(Cc2ccc(Cl)cc2C)c2cc(C(F)(F)F)ccc12
InChIInChI=1S/C18H14ClF3N2O2/c1-10-7-13(19)5-3-11(10)9-24-15-8-12(18(20,21)22)4-6-14(15)16(23-24)17(25)26-2/h3-8H,9H2,1-2H3
InChIKeyRDDCASSASRYDDH-UHFFFAOYSA-N
MW382.77 g/mol
LogP4.85
Rot. Bonds3

About methyl 1-[(4-chloro-2-methylphenyl)methyl]-6-(trifluoromethyl)indazole-3-carboxylate

methyl 1-[(4-chloro-2-methylphenyl)methyl]-6-(trifluoromethyl)indazole-3-carboxylate (PubChem CID 11668080) has the molecular formula C18H14ClF3N2O2 and a molecular weight of 382.77 g/mol. Its IUPAC name is methyl 1-[(4-chloro-2-methylphenyl)methyl]-6-(trifluoromethyl)indazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(4-chloro-2-methylphenyl)methyl]-6-(trifluoromethyl)indazole-3-carboxylate
PubChem CID11668080
Molecular FormulaC18H14ClF3N2O2
Molecular Weight382.77 g/mol
Exact Mass382.07
IUPAC Namemethyl 1-[(4-chloro-2-methylphenyl)methyl]-6-(trifluoromethyl)indazole-3-carboxylate
SMILESCOC(=O)c1nn(Cc2ccc(Cl)cc2C)c2cc(C(F)(F)F)ccc12
InChIInChI=1S/C18H14ClF3N2O2/c1-10-7-13(19)5-3-11(10)9-24-15-8-12(18(20,21)22)4-6-14(15)16(23-24)17(25)26-2/h3-8H,9H2,1-2H3
InChIKeyRDDCASSASRYDDH-UHFFFAOYSA-N
XLogP4.85
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.77
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 1-[(4-chloro-2-methylphenyl)methyl]-6-(trifluoromethyl)indazole-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(4-chloro-2-methylphenyl)methyl]-6-(trifluoromethyl)indazole-3-carboxylate?
The IUPAC name of methyl 1-[(4-chloro-2-methylphenyl)methyl]-6-(trifluoromethyl)indazole-3-carboxylate (CID 11668080) is methyl 1-[(4-chloro-2-methylphenyl)methyl]-6-(trifluoromethyl)indazole-3-carboxylate.
What is the SMILES notation for methyl 1-[(4-chloro-2-methylphenyl)methyl]-6-(trifluoromethyl)indazole-3-carboxylate?
The canonical SMILES for methyl 1-[(4-chloro-2-methylphenyl)methyl]-6-(trifluoromethyl)indazole-3-carboxylate is COC(=O)c1nn(Cc2ccc(Cl)cc2C)c2cc(C(F)(F)F)ccc12.
What is the InChIKey of methyl 1-[(4-chloro-2-methylphenyl)methyl]-6-(trifluoromethyl)indazole-3-carboxylate?
The InChIKey is RDDCASSASRYDDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClF3N2O2/c1-10-7-13(19)5-3-11(10)9-24-15-8-12(18(20,21)22)4-6-14(15)16(23-24)17(25)26-2/h3-8H,9H2,1-2H3.
What are the key properties of methyl 1-[(4-chloro-2-methylphenyl)methyl]-6-(trifluoromethyl)indazole-3-carboxylate?
methyl 1-[(4-chloro-2-methylphenyl)methyl]-6-(trifluoromethyl)indazole-3-carboxylate has a molecular weight of 382.77 g/mol, XLogP of 4.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(4-chloro-2-methylphenyl)methyl]-6-(trifluoromethyl)indazole-3-carboxylate is sourced from PubChem (CID 11668080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).