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

C19H18FN3 — CID 71656357

IUPAC2-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1,3-dihydroisoindole
SMILESCn1cc(-c2ccc(CN3Cc4ccccc4C3)c(F)c2)cn1
InChIInChI=1S/C19H18FN3/c1-22-10-18(9-21-22)14-6-7-17(19(20)8-14)13-23-11-15-4-2-3-5-16(15)12-23/h2-10H,11-13H2,1H3
InChIKeyFIPPBOJRFDQJHQ-UHFFFAOYSA-N
MW307.37 g/mol
LogP3.74
Rot. Bonds3

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

2-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1,3-dihydroisoindole (PubChem CID 71656357) has the molecular formula C19H18FN3 and a molecular weight of 307.37 g/mol. Its IUPAC name is 2-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1,3-dihydroisoindole.

Molecular Properties

Compound Name2-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1,3-dihydroisoindole
PubChem CID71656357
Molecular FormulaC19H18FN3
Molecular Weight307.37 g/mol
Exact Mass307.15
IUPAC Name2-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1,3-dihydroisoindole
SMILESCn1cc(-c2ccc(CN3Cc4ccccc4C3)c(F)c2)cn1
InChIInChI=1S/C19H18FN3/c1-22-10-18(9-21-22)14-6-7-17(19(20)8-14)13-23-11-15-4-2-3-5-16(15)12-23/h2-10H,11-13H2,1H3
InChIKeyFIPPBOJRFDQJHQ-UHFFFAOYSA-N
XLogP3.74
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 ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Fezolamine
CID 54567
4-(2-Fluorophenyl)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]triazole
CID 152346369
2-[4-(4-{(3s,4r)-4-(Dimethylamino)-1-[(2-Fluoro-6-Methylphenyl)methyl]pyrrolidin-3-Yl}phenyl)-1h-Pyrazol-1-Yl]acetamide
CID 124220775
N-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-N-methyl-2-(1-methyl-1H-pyrazol-4-yl)ethanamine
CID 16190778
1-[3-(4-cyclohexylphenyl)-1-methyl-1H-pyrazol-4-yl]-N-[(1-ethyl-1H-pyrazol-4-yl)methyl]methanamine
CID 16188219
3-[2-(2,4-difluorophenyl)ethyl]-1-[(1-methyl-1H-pyrazol-4-yl)methyl]piperidine
CID 45227951
1-[(1-methyl-1H-pyrazol-4-yl)methyl]-3-{2-[2-(trifluoromethyl)phenyl]ethyl}piperidine
CID 56861411
US10155727, Example 45
CID 118864282
US10155727, Example 52
CID 118864389
US10155727, Example 33
CID 118864418
1-[3-(4-cyclohexylphenyl)-1-methyl-1H-pyrazol-4-yl]-N-[(1-methyl-1H-pyrazol-4-yl)methyl]methanamine
CID 16190829
3-[2-(4-fluorophenyl)ethyl]-1-[(1-methyl-1H-pyrazol-4-yl)methyl]piperidine
CID 56865788

Frequently Asked Questions

What is the IUPAC name of 2-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1,3-dihydroisoindole?
The IUPAC name of 2-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1,3-dihydroisoindole (CID 71656357) is 2-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1,3-dihydroisoindole.
What is the SMILES notation for 2-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1,3-dihydroisoindole?
The canonical SMILES for 2-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1,3-dihydroisoindole is Cn1cc(-c2ccc(CN3Cc4ccccc4C3)c(F)c2)cn1.
What is the InChIKey of 2-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1,3-dihydroisoindole?
The InChIKey is FIPPBOJRFDQJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3/c1-22-10-18(9-21-22)14-6-7-17(19(20)8-14)13-23-11-15-4-2-3-5-16(15)12-23/h2-10H,11-13H2,1H3.
What are the key properties of 2-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1,3-dihydroisoindole?
2-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1,3-dihydroisoindole has a molecular weight of 307.37 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1,3-dihydroisoindole is sourced from PubChem (CID 71656357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).