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

C17H10F3N3O2 — CID 157037238

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 Name4-[4-(trifluoromethyl)phenyl]-3H-pyrazolo[5,4-b]indole-7-carboxylic acid
PubChem CID157037238
Molecular FormulaC17H10F3N3O2
Molecular Weight345.28 g/mol
Exact Mass345.07
IUPAC Name4-[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
XLogP4.22
TPSA70.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.28
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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).