5-[4-(4-fluorophenyl)-3,5-dimethylpyrazol-1-yl]-2,3-dihydro-1H-isoindole

C19H18FN3 — CID 155567592

IUPAC5-[4-(4-fluorophenyl)-3,5-dimethylpyrazol-1-yl]-2,3-dihydro-1H-isoindole
SMILESCc1nn(-c2ccc3c(c2)CNC3)c(C)c1-c1ccc(F)cc1
InChIInChI=1S/C19H18FN3/c1-12-19(14-3-6-17(20)7-4-14)13(2)23(22-12)18-8-5-15-10-21-11-16(15)9-18/h3-9,21H,10-11H2,1-2H3
InChIKeyVBZUNQYMPCKRHD-UHFFFAOYSA-N
MW307.37 g/mol
LogP3.90
Rot. Bonds2

About 5-[4-(4-fluorophenyl)-3,5-dimethylpyrazol-1-yl]-2,3-dihydro-1H-isoindole

5-[4-(4-fluorophenyl)-3,5-dimethylpyrazol-1-yl]-2,3-dihydro-1H-isoindole (PubChem CID 155567592) has the molecular formula C19H18FN3 and a molecular weight of 307.37 g/mol. Its IUPAC name is 5-[4-(4-fluorophenyl)-3,5-dimethylpyrazol-1-yl]-2,3-dihydro-1H-isoindole.

Molecular Properties

Compound Name5-[4-(4-fluorophenyl)-3,5-dimethylpyrazol-1-yl]-2,3-dihydro-1H-isoindole
PubChem CID155567592
Molecular FormulaC19H18FN3
Molecular Weight307.37 g/mol
Exact Mass307.15
IUPAC Name5-[4-(4-fluorophenyl)-3,5-dimethylpyrazol-1-yl]-2,3-dihydro-1H-isoindole
SMILESCc1nn(-c2ccc3c(c2)CNC3)c(C)c1-c1ccc(F)cc1
InChIInChI=1S/C19H18FN3/c1-12-19(14-3-6-17(20)7-4-14)13(2)23(22-12)18-8-5-15-10-21-11-16(15)9-18/h3-9,21H,10-11H2,1-2H3
InChIKeyVBZUNQYMPCKRHD-UHFFFAOYSA-N
XLogP3.90
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(4-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-1-yl]-2-(trifluoromethyl)benzonitrile
CID 57401854
1-[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]-N-[4-(1H-pyrazol-1-yl)benzyl]methanamine
CID 16187528
1-(1,5-dimethyl-1H-pyrazol-4-yl)-N-{[3-(4-fluorophenyl)-1-(4-methylphenyl)-1H-pyrazol-4-yl]methyl}ethanamine
CID 16188374
N-{[3-(4-fluorophenyl)-1-(4-methylphenyl)-1H-pyrazol-4-yl]methyl}-1-(1-methyl-1H-pyrazol-4-yl)ethanamine
CID 16192289
1h-Pyrazolo[4,3-c]pyridine,1,3-bis(4-fluorophenyl)-4,5,6,7-tetrahydro-,hydrochloride
CID 45265710
[4-[4-(4-Fluorophenyl)-3,5-dimethylpyrazol-1-yl]phenyl]methanamine
CID 155541368
4-[2-(2-fluoro-6-methylphenyl)-5-(2-propan-2-ylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]aniline
CID 139296930
2-(3,5-dimethyl-1-pyrazolyl)-N-[[3-(4-fluorophenyl)-1-(4-methylphenyl)-4-pyrazolyl]methyl]ethanamine
CID 16192223
(1S,4S)-4-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(4-propan-2-ylphenyl)methyl]cyclopent-2-en-1-amine
CID 25390085
4-[[[(1S,4S)-4-[3,5-dimethyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]cyclopent-2-en-1-yl]amino]methyl]-N,N-dimethylaniline
CID 40777668
(1S,4S)-N-benzyl-4-[3,5-dimethyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]cyclopent-2-en-1-amine
CID 40780373
(1S,4S)-4-[3,5-dimethyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]-N-[(4-fluorophenyl)methyl]cyclopent-2-en-1-amine
CID 40780377

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-fluorophenyl)-3,5-dimethylpyrazol-1-yl]-2,3-dihydro-1H-isoindole?
The IUPAC name of 5-[4-(4-fluorophenyl)-3,5-dimethylpyrazol-1-yl]-2,3-dihydro-1H-isoindole (CID 155567592) is 5-[4-(4-fluorophenyl)-3,5-dimethylpyrazol-1-yl]-2,3-dihydro-1H-isoindole.
What is the SMILES notation for 5-[4-(4-fluorophenyl)-3,5-dimethylpyrazol-1-yl]-2,3-dihydro-1H-isoindole?
The canonical SMILES for 5-[4-(4-fluorophenyl)-3,5-dimethylpyrazol-1-yl]-2,3-dihydro-1H-isoindole is Cc1nn(-c2ccc3c(c2)CNC3)c(C)c1-c1ccc(F)cc1.
What is the InChIKey of 5-[4-(4-fluorophenyl)-3,5-dimethylpyrazol-1-yl]-2,3-dihydro-1H-isoindole?
The InChIKey is VBZUNQYMPCKRHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3/c1-12-19(14-3-6-17(20)7-4-14)13(2)23(22-12)18-8-5-15-10-21-11-16(15)9-18/h3-9,21H,10-11H2,1-2H3.
What are the key properties of 5-[4-(4-fluorophenyl)-3,5-dimethylpyrazol-1-yl]-2,3-dihydro-1H-isoindole?
5-[4-(4-fluorophenyl)-3,5-dimethylpyrazol-1-yl]-2,3-dihydro-1H-isoindole has a molecular weight of 307.37 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-fluorophenyl)-3,5-dimethylpyrazol-1-yl]-2,3-dihydro-1H-isoindole is sourced from PubChem (CID 155567592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).