4-[4-(trifluoromethyl)phenyl]-3H-pyrazolo[5,4-b]indole-7-carboxylic acid

Name: 4-[4-(trifluoromethyl)phenyl]-3H-pyrazolo[5,4-b]indole-7-carboxylic acid — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₇H₁₀F₃N₃O₂ — CID 157037238

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC4-[4-(trifluoromethyl)phenyl]-3H-pyrazolo[5,4-b]indole-7-carboxylic acid

SMILESO=C(O)c1ccc2c(c1)c1cn[nH]c1n2-c1ccc(C(F)(F)F)cc1

InChIInChI=1S/C17H10F3N3O2/c18-17(19,20)10-2-4-11(5-3-10)23-14-6-1-9(16(24)25)7-12(14)13-8-21-22-15(13)23/h1-8H,(H,21,22)(H,24,25)

InChIKeyMWNRZGLVLDGKFO-UHFFFAOYSA-N

MW345.28 g/mol

LogP4.22

Rot. Bonds2

About 4-[4-(trifluoromethyl)phenyl]-3H-pyrazolo[5,4-b]indole-7-carboxylic acid

4-[4-(trifluoromethyl)phenyl]-3H-pyrazolo[5,4-b]indole-7-carboxylic acid (PubChem CID 157037238) has the molecular formula C₁₇H₁₀F₃N₃O₂ and a molecular weight of 345.28 g/mol. Its IUPAC name is 4-[4-(trifluoromethyl)phenyl]-3H-pyrazolo[5,4-b]indole-7-carboxylic acid.

Molecular Properties

Compound Name	4-[4-(trifluoromethyl)phenyl]-3H-pyrazolo[5,4-b]indole-7-carboxylic acid
PubChem CID	157037238
Molecular Formula	C₁₇H₁₀F₃N₃O₂
Molecular Weight	345.28 g/mol
Exact Mass	345.07
IUPAC Name	4-[4-(trifluoromethyl)phenyl]-3H-pyrazolo[5,4-b]indole-7-carboxylic acid
SMILES	O=C(O)c1ccc2c(c1)c1cn[nH]c1n2-c1ccc(C(F)(F)F)cc1
InChI	InChI=1S/C17H10F3N3O2/c18-17(19,20)10-2-4-11(5-3-10)23-14-6-1-9(16(24)25)7-12(14)13-8-21-22-15(13)23/h1-8H,(H,21,22)(H,24,25)
InChIKey	MWNRZGLVLDGKFO-UHFFFAOYSA-N
XLogP	4.22
TPSA	70.91 Å²
H-Bond Donors	2
H-Bond Acceptors	3
Rotatable Bonds	2
Heavy Atoms	25
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	345.28
LogP ≤ 5	4.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 4-[4-(trifluoromethyl)phenyl]-3H-pyrazolo[5,4-b]indole-7-carboxylic acid?

The IUPAC name of 4-[4-(trifluoromethyl)phenyl]-3H-pyrazolo[5,4-b]indole-7-carboxylic acid (CID 157037238) is 4-[4-(trifluoromethyl)phenyl]-3H-pyrazolo[5,4-b]indole-7-carboxylic acid.

What is the SMILES notation for 4-[4-(trifluoromethyl)phenyl]-3H-pyrazolo[5,4-b]indole-7-carboxylic acid?

The canonical SMILES for 4-[4-(trifluoromethyl)phenyl]-3H-pyrazolo[5,4-b]indole-7-carboxylic acid is O=C(O)c1ccc2c(c1)c1cn[nH]c1n2-c1ccc(C(F)(F)F)cc1.

What is the InChIKey of 4-[4-(trifluoromethyl)phenyl]-3H-pyrazolo[5,4-b]indole-7-carboxylic acid?

The InChIKey is MWNRZGLVLDGKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F3N3O2/c18-17(19,20)10-2-4-11(5-3-10)23-14-6-1-9(16(24)25)7-12(14)13-8-21-22-15(13)23/h1-8H,(H,21,22)(H,24,25).

What are the key properties of 4-[4-(trifluoromethyl)phenyl]-3H-pyrazolo[5,4-b]indole-7-carboxylic acid?

4-[4-(trifluoromethyl)phenyl]-3H-pyrazolo[5,4-b]indole-7-carboxylic acid has a molecular weight of 345.28 g/mol, XLogP of 4.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(trifluoromethyl)phenyl]-3H-pyrazolo[5,4-b]indole-7-carboxylic acid is sourced from PubChem (CID 157037238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 157037238 — identifiers, structure, computed properties (public domain)

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