1-[3-(trifluoromethyl)phenyl]indazole-5-carboxylate

C15H8F3N2O2- — CID 154461404

IUPAC1-[3-(trifluoromethyl)phenyl]indazole-5-carboxylate
SMILESO=C([O-])c1ccc2c(cnn2-c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C15H9F3N2O2/c16-15(17,18)11-2-1-3-12(7-11)20-13-5-4-9(14(21)22)6-10(13)8-19-20/h1-8H,(H,21,22)/p-1
InChIKeyNODOVXIFZAZNGO-UHFFFAOYSA-M
MW305.24 g/mol
LogP2.41
Rot. Bonds2

About 1-[3-(trifluoromethyl)phenyl]indazole-5-carboxylate

1-[3-(trifluoromethyl)phenyl]indazole-5-carboxylate (PubChem CID 154461404) has the molecular formula C15H8F3N2O2- and a molecular weight of 305.24 g/mol. Its IUPAC name is 1-[3-(trifluoromethyl)phenyl]indazole-5-carboxylate.

Molecular Properties

Compound Name1-[3-(trifluoromethyl)phenyl]indazole-5-carboxylate
PubChem CID154461404
Molecular FormulaC15H8F3N2O2-
Molecular Weight305.24 g/mol
Exact Mass305.05
IUPAC Name1-[3-(trifluoromethyl)phenyl]indazole-5-carboxylate
SMILESO=C([O-])c1ccc2c(cnn2-c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C15H9F3N2O2/c16-15(17,18)11-2-1-3-12(7-11)20-13-5-4-9(14(21)22)6-10(13)8-19-20/h1-8H,(H,21,22)/p-1
InChIKeyNODOVXIFZAZNGO-UHFFFAOYSA-M
XLogP2.41
TPSA57.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.24
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[3-(trifluoromethyl)phenyl]indazole-5-carboxylate 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

1-[3-(trifluoromethyl)phenyl]indazole
CID 21044942
1-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-6-carboxamide
CID 150017906
4-hydroxy-1-[3-(trifluoromethyl)phenyl]pyrazole-5-carboxylic acid
CID 117232945
2-[3-(trifluoromethyl)phenyl]phthalazin-1-one
CID 2380587
3-(5-iodoindazol-1-yl)benzoic acid
CID 57432097
3-[3-(trifluoromethyl)phenyl]benzoate
CID 7021706
N'-(4-chlorobenzoyl)-5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbohydrazide
CID 24663557
4-methylsulfonyl-N-[1-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]ethyl]benzamide
CID 42945222
azocan-1-yl-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methanone
CID 30766832
3-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-5-carboxylate
CID 7797396
4-(aminomethyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine
CID 115069398
N-[(1R,2S)-1-[1-[3-(2-aminopropan-2-yl)phenyl]indazol-5-yl]oxy-1-phenylpropan-2-yl]-2,2,2-trifluoroacetamide
CID 87165310

Frequently Asked Questions

What is the IUPAC name of 1-[3-(trifluoromethyl)phenyl]indazole-5-carboxylate?
The IUPAC name of 1-[3-(trifluoromethyl)phenyl]indazole-5-carboxylate (CID 154461404) is 1-[3-(trifluoromethyl)phenyl]indazole-5-carboxylate.
What is the SMILES notation for 1-[3-(trifluoromethyl)phenyl]indazole-5-carboxylate?
The canonical SMILES for 1-[3-(trifluoromethyl)phenyl]indazole-5-carboxylate is O=C([O-])c1ccc2c(cnn2-c2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 1-[3-(trifluoromethyl)phenyl]indazole-5-carboxylate?
The InChIKey is NODOVXIFZAZNGO-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H9F3N2O2/c16-15(17,18)11-2-1-3-12(7-11)20-13-5-4-9(14(21)22)6-10(13)8-19-20/h1-8H,(H,21,22)/p-1.
What are the key properties of 1-[3-(trifluoromethyl)phenyl]indazole-5-carboxylate?
1-[3-(trifluoromethyl)phenyl]indazole-5-carboxylate has a molecular weight of 305.24 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(trifluoromethyl)phenyl]indazole-5-carboxylate is sourced from PubChem (CID 154461404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).