2-[(3-chlorophenyl)methyl]-3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole

C19H17ClFN3 — CID 155591338

IUPAC2-[(3-chlorophenyl)methyl]-3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole
SMILESCN1Cc2nn(Cc3cccc(Cl)c3)c(-c3ccccc3F)c2C1
InChIInChI=1S/C19H17ClFN3/c1-23-11-16-18(12-23)22-24(10-13-5-4-6-14(20)9-13)19(16)15-7-2-3-8-17(15)21/h2-9H,10-12H2,1H3
InChIKeyYLCJUEUOSAWVTO-UHFFFAOYSA-N
MW341.82 g/mol
LogP4.34
Rot. Bonds3

About 2-[(3-chlorophenyl)methyl]-3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole

2-[(3-chlorophenyl)methyl]-3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole (PubChem CID 155591338) has the molecular formula C19H17ClFN3 and a molecular weight of 341.82 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methyl]-3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methyl]-3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole
PubChem CID155591338
Molecular FormulaC19H17ClFN3
Molecular Weight341.82 g/mol
Exact Mass341.11
IUPAC Name2-[(3-chlorophenyl)methyl]-3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole
SMILESCN1Cc2nn(Cc3cccc(Cl)c3)c(-c3ccccc3F)c2C1
InChIInChI=1S/C19H17ClFN3/c1-23-11-16-18(12-23)22-24(10-13-5-4-6-14(20)9-13)19(16)15-7-2-3-8-17(15)21/h2-9H,10-12H2,1H3
InChIKeyYLCJUEUOSAWVTO-UHFFFAOYSA-N
XLogP4.34
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.82
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methyl]-3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole?
The IUPAC name of 2-[(3-chlorophenyl)methyl]-3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole (CID 155591338) is 2-[(3-chlorophenyl)methyl]-3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole.
What is the SMILES notation for 2-[(3-chlorophenyl)methyl]-3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole?
The canonical SMILES for 2-[(3-chlorophenyl)methyl]-3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole is CN1Cc2nn(Cc3cccc(Cl)c3)c(-c3ccccc3F)c2C1.
What is the InChIKey of 2-[(3-chlorophenyl)methyl]-3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole?
The InChIKey is YLCJUEUOSAWVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFN3/c1-23-11-16-18(12-23)22-24(10-13-5-4-6-14(20)9-13)19(16)15-7-2-3-8-17(15)21/h2-9H,10-12H2,1H3.
What are the key properties of 2-[(3-chlorophenyl)methyl]-3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole?
2-[(3-chlorophenyl)methyl]-3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole has a molecular weight of 341.82 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methyl]-3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole is sourced from PubChem (CID 155591338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).