Skip to content

1-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[4,5-b]indole-7-carboxylic acid

C18H12F3N3O2 — CID 157037442

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC1-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[4,5-b]indole-7-carboxylic acid
SMILESCn1ncc2c1c1cc(C(=O)O)ccc1n2-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H12F3N3O2/c1-23-16-13-8-10(17(25)26)2-7-14(13)24(15(16)9-22-23)12-5-3-11(4-6-12)18(19,20)21/h2-9H,1H3,(H,25,26)
InChIKeyIEAHXYGBVKMBTJ-UHFFFAOYSA-N
MW359.31 g/mol
LogP4.23
Rot. Bonds2

About 1-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[4,5-b]indole-7-carboxylic acid

1-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[4,5-b]indole-7-carboxylic acid (PubChem CID 157037442) has the molecular formula C18H12F3N3O2 and a molecular weight of 359.31 g/mol. Its IUPAC name is 1-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[4,5-b]indole-7-carboxylic acid.

Molecular Properties

Compound Name1-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[4,5-b]indole-7-carboxylic acid
PubChem CID157037442
Molecular FormulaC18H12F3N3O2
Molecular Weight359.31 g/mol
Exact Mass359.09
IUPAC Name1-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[4,5-b]indole-7-carboxylic acid
SMILESCn1ncc2c1c1cc(C(=O)O)ccc1n2-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H12F3N3O2/c1-23-16-13-8-10(17(25)26)2-7-14(13)24(15(16)9-22-23)12-5-3-11(4-6-12)18(19,20)21/h2-9H,1H3,(H,25,26)
InChIKeyIEAHXYGBVKMBTJ-UHFFFAOYSA-N
XLogP4.23
TPSA60.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.31
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[4,5-b]indole-7-carboxylic acid 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 1-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[4,5-b]indole-7-carboxylic acid?
The IUPAC name of 1-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[4,5-b]indole-7-carboxylic acid (CID 157037442) is 1-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[4,5-b]indole-7-carboxylic acid.
What is the SMILES notation for 1-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[4,5-b]indole-7-carboxylic acid?
The canonical SMILES for 1-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[4,5-b]indole-7-carboxylic acid is Cn1ncc2c1c1cc(C(=O)O)ccc1n2-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[4,5-b]indole-7-carboxylic acid?
The InChIKey is IEAHXYGBVKMBTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3N3O2/c1-23-16-13-8-10(17(25)26)2-7-14(13)24(15(16)9-22-23)12-5-3-11(4-6-12)18(19,20)21/h2-9H,1H3,(H,25,26).
What are the key properties of 1-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[4,5-b]indole-7-carboxylic acid?
1-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[4,5-b]indole-7-carboxylic acid has a molecular weight of 359.31 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[4,5-b]indole-7-carboxylic acid is sourced from PubChem (CID 157037442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.