1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-2,3-dihydroindole

C19H18FN3 — CID 71719153

IUPAC1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-2,3-dihydroindole
SMILESCn1cc(-c2ccc(CN3CCc4ccccc43)c(F)c2)cn1
InChIInChI=1S/C19H18FN3/c1-22-12-17(11-21-22)15-6-7-16(18(20)10-15)13-23-9-8-14-4-2-3-5-19(14)23/h2-7,10-12H,8-9,13H2,1H3
InChIKeyRNHRTNIVWSFNNX-UHFFFAOYSA-N
MW307.37 g/mol
LogP3.79
Rot. Bonds3

About 1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-2,3-dihydroindole

1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-2,3-dihydroindole (PubChem CID 71719153) has the molecular formula C19H18FN3 and a molecular weight of 307.37 g/mol. Its IUPAC name is 1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-2,3-dihydroindole.

Molecular Properties

Compound Name1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-2,3-dihydroindole
PubChem CID71719153
Molecular FormulaC19H18FN3
Molecular Weight307.37 g/mol
Exact Mass307.15
IUPAC Name1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-2,3-dihydroindole
SMILESCn1cc(-c2ccc(CN3CCc4ccccc43)c(F)c2)cn1
InChIInChI=1S/C19H18FN3/c1-22-12-17(11-21-22)15-6-7-16(18(20)10-15)13-23-9-8-14-4-2-3-5-19(14)23/h2-7,10-12H,8-9,13H2,1H3
InChIKeyRNHRTNIVWSFNNX-UHFFFAOYSA-N
XLogP3.79
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-2,3-dihydroindole?
The IUPAC name of 1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-2,3-dihydroindole (CID 71719153) is 1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-2,3-dihydroindole.
What is the SMILES notation for 1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-2,3-dihydroindole?
The canonical SMILES for 1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-2,3-dihydroindole is Cn1cc(-c2ccc(CN3CCc4ccccc43)c(F)c2)cn1.
What is the InChIKey of 1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-2,3-dihydroindole?
The InChIKey is RNHRTNIVWSFNNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3/c1-22-12-17(11-21-22)15-6-7-16(18(20)10-15)13-23-9-8-14-4-2-3-5-19(14)23/h2-7,10-12H,8-9,13H2,1H3.
What are the key properties of 1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-2,3-dihydroindole?
1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-2,3-dihydroindole has a molecular weight of 307.37 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-2,3-dihydroindole is sourced from PubChem (CID 71719153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).