1-[(4-fluorophenyl)methyl]-3-(2-methylpyrazol-3-yl)-4,5,6,7-tetrahydroindole

C19H20FN3 — CID 175904446

IUPAC1-[(4-fluorophenyl)methyl]-3-(2-methylpyrazol-3-yl)-4,5,6,7-tetrahydroindole
SMILESCn1nccc1-c1cn(Cc2ccc(F)cc2)c2c1CCCC2
InChIInChI=1S/C19H20FN3/c1-22-18(10-11-21-22)17-13-23(19-5-3-2-4-16(17)19)12-14-6-8-15(20)9-7-14/h6-11,13H,2-5,12H2,1H3
InChIKeyLZBMEXBZPLKULJ-UHFFFAOYSA-N
MW309.39 g/mol
LogP3.95
Rot. Bonds3

About 1-[(4-fluorophenyl)methyl]-3-(2-methylpyrazol-3-yl)-4,5,6,7-tetrahydroindole

1-[(4-fluorophenyl)methyl]-3-(2-methylpyrazol-3-yl)-4,5,6,7-tetrahydroindole (PubChem CID 175904446) has the molecular formula C19H20FN3 and a molecular weight of 309.39 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-3-(2-methylpyrazol-3-yl)-4,5,6,7-tetrahydroindole.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-3-(2-methylpyrazol-3-yl)-4,5,6,7-tetrahydroindole
PubChem CID175904446
Molecular FormulaC19H20FN3
Molecular Weight309.39 g/mol
Exact Mass309.16
IUPAC Name1-[(4-fluorophenyl)methyl]-3-(2-methylpyrazol-3-yl)-4,5,6,7-tetrahydroindole
SMILESCn1nccc1-c1cn(Cc2ccc(F)cc2)c2c1CCCC2
InChIInChI=1S/C19H20FN3/c1-22-18(10-11-21-22)17-13-23(19-5-3-2-4-16(17)19)12-14-6-8-15(20)9-7-14/h6-11,13H,2-5,12H2,1H3
InChIKeyLZBMEXBZPLKULJ-UHFFFAOYSA-N
XLogP3.95
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-3-(2-methylpyrazol-3-yl)-4,5,6,7-tetrahydroindole?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-3-(2-methylpyrazol-3-yl)-4,5,6,7-tetrahydroindole (CID 175904446) is 1-[(4-fluorophenyl)methyl]-3-(2-methylpyrazol-3-yl)-4,5,6,7-tetrahydroindole.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-3-(2-methylpyrazol-3-yl)-4,5,6,7-tetrahydroindole?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-3-(2-methylpyrazol-3-yl)-4,5,6,7-tetrahydroindole is Cn1nccc1-c1cn(Cc2ccc(F)cc2)c2c1CCCC2.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-3-(2-methylpyrazol-3-yl)-4,5,6,7-tetrahydroindole?
The InChIKey is LZBMEXBZPLKULJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3/c1-22-18(10-11-21-22)17-13-23(19-5-3-2-4-16(17)19)12-14-6-8-15(20)9-7-14/h6-11,13H,2-5,12H2,1H3.
What are the key properties of 1-[(4-fluorophenyl)methyl]-3-(2-methylpyrazol-3-yl)-4,5,6,7-tetrahydroindole?
1-[(4-fluorophenyl)methyl]-3-(2-methylpyrazol-3-yl)-4,5,6,7-tetrahydroindole has a molecular weight of 309.39 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-3-(2-methylpyrazol-3-yl)-4,5,6,7-tetrahydroindole is sourced from PubChem (CID 175904446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).