2-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methylpyrazol-3-yl]isoindole-1,3-dione

C19H13ClFN3O2 — CID 67281501

IUPAC2-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methylpyrazol-3-yl]isoindole-1,3-dione
SMILESCc1cc(N2C(=O)c3ccccc3C2=O)nn1Cc1c(F)cccc1Cl
InChIInChI=1S/C19H13ClFN3O2/c1-11-9-17(22-23(11)10-14-15(20)7-4-8-16(14)21)24-18(25)12-5-2-3-6-13(12)19(24)26/h2-9H,10H2,1H3
InChIKeyMESMDLIRVPZKLS-UHFFFAOYSA-N
MW369.78 g/mol
LogP3.83
Rot. Bonds3

About 2-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methylpyrazol-3-yl]isoindole-1,3-dione

2-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methylpyrazol-3-yl]isoindole-1,3-dione (PubChem CID 67281501) has the molecular formula C19H13ClFN3O2 and a molecular weight of 369.78 g/mol. Its IUPAC name is 2-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methylpyrazol-3-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methylpyrazol-3-yl]isoindole-1,3-dione
PubChem CID67281501
Molecular FormulaC19H13ClFN3O2
Molecular Weight369.78 g/mol
Exact Mass369.07
IUPAC Name2-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methylpyrazol-3-yl]isoindole-1,3-dione
SMILESCc1cc(N2C(=O)c3ccccc3C2=O)nn1Cc1c(F)cccc1Cl
InChIInChI=1S/C19H13ClFN3O2/c1-11-9-17(22-23(11)10-14-15(20)7-4-8-16(14)21)24-18(25)12-5-2-3-6-13(12)19(24)26/h2-9H,10H2,1H3
InChIKeyMESMDLIRVPZKLS-UHFFFAOYSA-N
XLogP3.83
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.78
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-3-(1,3-dioxoisoindol-2-yl)benzamide
CID 19335444
2-[1-(iodomethyl)-5-methylpyrazol-3-yl]isoindole-1,3-dione
CID 143697903
(3aS,7aR)-2-[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 19583830
2-[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 71834344
2-[(2-chloro-6-fluorophenyl)methyl]-6-(2-fluorophenyl)pyridazin-3-one
CID 51044457
N-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-3-phenylpropanamide
CID 19335401
N-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methylpyrazol-3-yl]cyclopropanecarboxamide
CID 19335415
1-[(2-chloro-6-fluorophenyl)methyl]-3,5-dimethylpyrazole-4-carboxylic acid
CID 61496120
1-butan-2-yl-3-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methylpyrazol-3-yl]thiourea
CID 19403800
2-[(2-chloro-6-fluorophenyl)methyl]pyridazin-3-one
CID 99844131
N-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-2,5-dimethylbenzamide
CID 19339288
1-[2-[[1-[(2-chloro-6-fluorophenyl)methyl]-5-methylpyrazol-3-yl]amino]-2-oxoethyl]pyrazole-4-carboxylic acid
CID 19502775

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methylpyrazol-3-yl]isoindole-1,3-dione?
The IUPAC name of 2-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methylpyrazol-3-yl]isoindole-1,3-dione (CID 67281501) is 2-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methylpyrazol-3-yl]isoindole-1,3-dione.
What is the SMILES notation for 2-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methylpyrazol-3-yl]isoindole-1,3-dione?
The canonical SMILES for 2-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methylpyrazol-3-yl]isoindole-1,3-dione is Cc1cc(N2C(=O)c3ccccc3C2=O)nn1Cc1c(F)cccc1Cl.
What is the InChIKey of 2-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methylpyrazol-3-yl]isoindole-1,3-dione?
The InChIKey is MESMDLIRVPZKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClFN3O2/c1-11-9-17(22-23(11)10-14-15(20)7-4-8-16(14)21)24-18(25)12-5-2-3-6-13(12)19(24)26/h2-9H,10H2,1H3.
What are the key properties of 2-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methylpyrazol-3-yl]isoindole-1,3-dione?
2-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methylpyrazol-3-yl]isoindole-1,3-dione has a molecular weight of 369.78 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methylpyrazol-3-yl]isoindole-1,3-dione is sourced from PubChem (CID 67281501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).