methyl 7-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]indazole-4-carboxylate

C17H12ClF3N2O2 — CID 162609625

IUPACmethyl 7-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]indazole-4-carboxylate
SMILESCOC(=O)c1ccc(Cl)c2c1cnn2Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H12ClF3N2O2/c1-25-16(24)12-6-7-14(18)15-13(12)8-22-23(15)9-10-2-4-11(5-3-10)17(19,20)21/h2-8H,9H2,1H3
InChIKeyGZBYIQMPVMBDJH-UHFFFAOYSA-N
MW368.74 g/mol
LogP4.54
Rot. Bonds3

About methyl 7-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]indazole-4-carboxylate

methyl 7-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]indazole-4-carboxylate (PubChem CID 162609625) has the molecular formula C17H12ClF3N2O2 and a molecular weight of 368.74 g/mol. Its IUPAC name is methyl 7-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]indazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 7-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]indazole-4-carboxylate
PubChem CID162609625
Molecular FormulaC17H12ClF3N2O2
Molecular Weight368.74 g/mol
Exact Mass368.05
IUPAC Namemethyl 7-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]indazole-4-carboxylate
SMILESCOC(=O)c1ccc(Cl)c2c1cnn2Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H12ClF3N2O2/c1-25-16(24)12-6-7-14(18)15-13(12)8-22-23(15)9-10-2-4-11(5-3-10)17(19,20)21/h2-8H,9H2,1H3
InChIKeyGZBYIQMPVMBDJH-UHFFFAOYSA-N
XLogP4.54
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.74
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-5-carboxylic acid
CID 117232726
methyl 1-[[4-[(E)-4-amino-2-methylbut-3-en-2-yl]phenyl]methyl]-5-(methoxymethyl)pyrazole-4-carboxylate
CID 170745901
methyl 1-[[4-(2-cyanopropan-2-yl)phenyl]methyl]-5-(methoxymethyl)pyrazole-4-carboxylate
CID 175986042
methyl 5-chloro-6-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylate
CID 18526237
methyl 4-chloro-2,3-bis(trifluoromethyl)benzoate
CID 134645652
2-[5-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]ethanol
CID 115068627
methyl 2-chloro-5-[4-(trifluoromethyl)phenyl]pyridine-3-carboxylate
CID 87395859
5-(methylamino)-2-[[4-(trifluoromethyl)phenyl]methyl]pyridazin-3-one
CID 103218535
4-prop-1-ynyl-1-[[4-(trifluoromethoxy)phenyl]methyl]indazole-7-carboxylic acid
CID 166161943
4-chloro-1-[(3-fluoro-4-iodophenyl)methyl]indazole-7-carboxylic acid
CID 146187831
N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]acetamide
CID 118335555
methyl 2-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]benzoate
CID 82970137

Frequently Asked Questions

What is the IUPAC name of methyl 7-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]indazole-4-carboxylate?
The IUPAC name of methyl 7-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]indazole-4-carboxylate (CID 162609625) is methyl 7-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]indazole-4-carboxylate.
What is the SMILES notation for methyl 7-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]indazole-4-carboxylate?
The canonical SMILES for methyl 7-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]indazole-4-carboxylate is COC(=O)c1ccc(Cl)c2c1cnn2Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of methyl 7-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]indazole-4-carboxylate?
The InChIKey is GZBYIQMPVMBDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClF3N2O2/c1-25-16(24)12-6-7-14(18)15-13(12)8-22-23(15)9-10-2-4-11(5-3-10)17(19,20)21/h2-8H,9H2,1H3.
What are the key properties of methyl 7-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]indazole-4-carboxylate?
methyl 7-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]indazole-4-carboxylate has a molecular weight of 368.74 g/mol, XLogP of 4.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]indazole-4-carboxylate is sourced from PubChem (CID 162609625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).