1-(3-cyano-1H-indol-5-yl)-3-(trifluoromethyl)pyrazole-4-carboxylic acid

C14H7F3N4O2 — CID 141291245

IUPAC1-(3-cyano-1H-indol-5-yl)-3-(trifluoromethyl)pyrazole-4-carboxylic acid
SMILESN#Cc1c[nH]c2ccc(-n3cc(C(=O)O)c(C(F)(F)F)n3)cc12
InChIInChI=1S/C14H7F3N4O2/c15-14(16,17)12-10(13(22)23)6-21(20-12)8-1-2-11-9(3-8)7(4-18)5-19-11/h1-3,5-6,19H,(H,22,23)
InChIKeyWVZKPOORLISRNN-UHFFFAOYSA-N
MW320.23 g/mol
LogP2.94
Rot. Bonds2

About 1-(3-cyano-1H-indol-5-yl)-3-(trifluoromethyl)pyrazole-4-carboxylic acid

1-(3-cyano-1H-indol-5-yl)-3-(trifluoromethyl)pyrazole-4-carboxylic acid (PubChem CID 141291245) has the molecular formula C14H7F3N4O2 and a molecular weight of 320.23 g/mol. Its IUPAC name is 1-(3-cyano-1H-indol-5-yl)-3-(trifluoromethyl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(3-cyano-1H-indol-5-yl)-3-(trifluoromethyl)pyrazole-4-carboxylic acid
PubChem CID141291245
Molecular FormulaC14H7F3N4O2
Molecular Weight320.23 g/mol
Exact Mass320.05
IUPAC Name1-(3-cyano-1H-indol-5-yl)-3-(trifluoromethyl)pyrazole-4-carboxylic acid
SMILESN#Cc1c[nH]c2ccc(-n3cc(C(=O)O)c(C(F)(F)F)n3)cc12
InChIInChI=1S/C14H7F3N4O2/c15-14(16,17)12-10(13(22)23)6-21(20-12)8-1-2-11-9(3-8)7(4-18)5-19-11/h1-3,5-6,19H,(H,22,23)
InChIKeyWVZKPOORLISRNN-UHFFFAOYSA-N
XLogP2.94
TPSA94.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyano-1H-indol-5-yl)-3-(trifluoromethyl)pyrazole-4-carboxylic acid?
The IUPAC name of 1-(3-cyano-1H-indol-5-yl)-3-(trifluoromethyl)pyrazole-4-carboxylic acid (CID 141291245) is 1-(3-cyano-1H-indol-5-yl)-3-(trifluoromethyl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-(3-cyano-1H-indol-5-yl)-3-(trifluoromethyl)pyrazole-4-carboxylic acid?
The canonical SMILES for 1-(3-cyano-1H-indol-5-yl)-3-(trifluoromethyl)pyrazole-4-carboxylic acid is N#Cc1c[nH]c2ccc(-n3cc(C(=O)O)c(C(F)(F)F)n3)cc12.
What is the InChIKey of 1-(3-cyano-1H-indol-5-yl)-3-(trifluoromethyl)pyrazole-4-carboxylic acid?
The InChIKey is WVZKPOORLISRNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F3N4O2/c15-14(16,17)12-10(13(22)23)6-21(20-12)8-1-2-11-9(3-8)7(4-18)5-19-11/h1-3,5-6,19H,(H,22,23).
What are the key properties of 1-(3-cyano-1H-indol-5-yl)-3-(trifluoromethyl)pyrazole-4-carboxylic acid?
1-(3-cyano-1H-indol-5-yl)-3-(trifluoromethyl)pyrazole-4-carboxylic acid has a molecular weight of 320.23 g/mol, XLogP of 2.94, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyano-1H-indol-5-yl)-3-(trifluoromethyl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 141291245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).