1-cyclopropyl-2-[[5-(trifluoromethyl)pyrazol-1-yl]methyl]indole-5-carboxylic acid

C17H14F3N3O2 — CID 130432850

IUPAC1-cyclopropyl-2-[[5-(trifluoromethyl)pyrazol-1-yl]methyl]indole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)cc(Cn1nccc1C(F)(F)F)n2C1CC1
InChIInChI=1S/C17H14F3N3O2/c18-17(19,20)15-5-6-21-22(15)9-13-8-11-7-10(16(24)25)1-4-14(11)23(13)12-2-3-12/h1,4-8,12H,2-3,9H2,(H,24,25)
InChIKeyZPKLCPWIHVDPQU-UHFFFAOYSA-N
MW349.31 g/mol
LogP3.94
Rot. Bonds4

About 1-cyclopropyl-2-[[5-(trifluoromethyl)pyrazol-1-yl]methyl]indole-5-carboxylic acid

1-cyclopropyl-2-[[5-(trifluoromethyl)pyrazol-1-yl]methyl]indole-5-carboxylic acid (PubChem CID 130432850) has the molecular formula C17H14F3N3O2 and a molecular weight of 349.31 g/mol. Its IUPAC name is 1-cyclopropyl-2-[[5-(trifluoromethyl)pyrazol-1-yl]methyl]indole-5-carboxylic acid.

Molecular Properties

Compound Name1-cyclopropyl-2-[[5-(trifluoromethyl)pyrazol-1-yl]methyl]indole-5-carboxylic acid
PubChem CID130432850
Molecular FormulaC17H14F3N3O2
Molecular Weight349.31 g/mol
Exact Mass349.10
IUPAC Name1-cyclopropyl-2-[[5-(trifluoromethyl)pyrazol-1-yl]methyl]indole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)cc(Cn1nccc1C(F)(F)F)n2C1CC1
InChIInChI=1S/C17H14F3N3O2/c18-17(19,20)15-5-6-21-22(15)9-13-8-11-7-10(16(24)25)1-4-14(11)23(13)12-2-3-12/h1,4-8,12H,2-3,9H2,(H,24,25)
InChIKeyZPKLCPWIHVDPQU-UHFFFAOYSA-N
XLogP3.94
TPSA60.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.31
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[[5-(trifluoromethyl)pyrazol-1-yl]methyl]indole-5-carboxylic acid?
The IUPAC name of 1-cyclopropyl-2-[[5-(trifluoromethyl)pyrazol-1-yl]methyl]indole-5-carboxylic acid (CID 130432850) is 1-cyclopropyl-2-[[5-(trifluoromethyl)pyrazol-1-yl]methyl]indole-5-carboxylic acid.
What is the SMILES notation for 1-cyclopropyl-2-[[5-(trifluoromethyl)pyrazol-1-yl]methyl]indole-5-carboxylic acid?
The canonical SMILES for 1-cyclopropyl-2-[[5-(trifluoromethyl)pyrazol-1-yl]methyl]indole-5-carboxylic acid is O=C(O)c1ccc2c(c1)cc(Cn1nccc1C(F)(F)F)n2C1CC1.
What is the InChIKey of 1-cyclopropyl-2-[[5-(trifluoromethyl)pyrazol-1-yl]methyl]indole-5-carboxylic acid?
The InChIKey is ZPKLCPWIHVDPQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O2/c18-17(19,20)15-5-6-21-22(15)9-13-8-11-7-10(16(24)25)1-4-14(11)23(13)12-2-3-12/h1,4-8,12H,2-3,9H2,(H,24,25).
What are the key properties of 1-cyclopropyl-2-[[5-(trifluoromethyl)pyrazol-1-yl]methyl]indole-5-carboxylic acid?
1-cyclopropyl-2-[[5-(trifluoromethyl)pyrazol-1-yl]methyl]indole-5-carboxylic acid has a molecular weight of 349.31 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[[5-(trifluoromethyl)pyrazol-1-yl]methyl]indole-5-carboxylic acid is sourced from PubChem (CID 130432850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).