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

C18H12F3N3O2 — CID 157037779

IUPAC2-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[4,3-b]indole-7-carboxylic acid
SMILESCn1cc2c(n1)c1cc(C(=O)O)ccc1n2-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H12F3N3O2/c1-23-9-15-16(22-23)13-8-10(17(25)26)2-7-14(13)24(15)12-5-3-11(4-6-12)18(19,20)21/h2-9H,1H3,(H,25,26)
InChIKeyZCDFALNDWJYFMZ-UHFFFAOYSA-N
MW359.31 g/mol
LogP4.23
Rot. Bonds2

About 2-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[4,3-b]indole-7-carboxylic acid

2-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[4,3-b]indole-7-carboxylic acid (PubChem CID 157037779) has the molecular formula C18H12F3N3O2 and a molecular weight of 359.31 g/mol. Its IUPAC name is 2-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[4,3-b]indole-7-carboxylic acid.

Molecular Properties

Compound Name2-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[4,3-b]indole-7-carboxylic acid
PubChem CID157037779
Molecular FormulaC18H12F3N3O2
Molecular Weight359.31 g/mol
Exact Mass359.09
IUPAC Name2-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[4,3-b]indole-7-carboxylic acid
SMILESCn1cc2c(n1)c1cc(C(=O)O)ccc1n2-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H12F3N3O2/c1-23-9-15-16(22-23)13-8-10(17(25)26)2-7-14(13)24(15)12-5-3-11(4-6-12)18(19,20)21/h2-9H,1H3,(H,25,26)
InChIKeyZCDFALNDWJYFMZ-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

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Related Compounds

2-Methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]indole-7-carboxylic acid
CID 157037366
4-Cyclohexyl-2-methylpyrazolo[4,3-b]indole-7-carboxylic acid
CID 157037881
4-Cyclohexyl-2-methylpyrazolo[3,4-b]indole-7-carboxylic acid
CID 168279014
2-Methyl-4-(4,4,4-trifluoro-3,3-dimethylbutyl)pyrazolo[3,4-b]indole-7-carboxylic acid
CID 157036977
2-Methyl-4-[4-(trifluoromethyl)cyclohexyl]pyrazolo[3,4-b]indole-7-carboxylic acid
CID 157037101
2-Ethyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]indole-7-carboxylic acid
CID 157037311
4-Cyclopentyl-2-methylpyrazolo[4,3-b]indole-7-carboxylic acid
CID 157037428
1-Methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[4,5-b]indole-7-carboxylic acid
CID 157037442
2-Methyl-4-[6-(trifluoromethyl)-3-pyridinyl]pyrazolo[3,4-b]indole-7-carboxylic acid
CID 157037547
4-Methyl-7-[4-(trifluoromethyl)phenyl]-4,5,7,12-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2,5,9,11-pentaene-11-carboxylic acid
CID 157037619
2-Methyl-4-[[4-(trifluoromethyl)cyclohexyl]methyl]pyrazolo[3,4-b]indole-7-carboxylic acid
CID 157037820
2-(Cyanomethyl)-4-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]indole-7-carboxylic acid
CID 157037827

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[4,3-b]indole-7-carboxylic acid?
The IUPAC name of 2-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[4,3-b]indole-7-carboxylic acid (CID 157037779) is 2-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[4,3-b]indole-7-carboxylic acid.
What is the SMILES notation for 2-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[4,3-b]indole-7-carboxylic acid?
The canonical SMILES for 2-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[4,3-b]indole-7-carboxylic acid is Cn1cc2c(n1)c1cc(C(=O)O)ccc1n2-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[4,3-b]indole-7-carboxylic acid?
The InChIKey is ZCDFALNDWJYFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3N3O2/c1-23-9-15-16(22-23)13-8-10(17(25)26)2-7-14(13)24(15)12-5-3-11(4-6-12)18(19,20)21/h2-9H,1H3,(H,25,26).
What are the key properties of 2-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[4,3-b]indole-7-carboxylic acid?
2-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[4,3-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 2-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[4,3-b]indole-7-carboxylic acid is sourced from PubChem (CID 157037779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).