2-(4-chlorophenyl)-N-[3-(4-fluorophenyl)prop-1-en-2-yl]-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-3-amine

C21H20ClFN4 — CID 143071550

IUPAC2-(4-chlorophenyl)-N-[3-(4-fluorophenyl)prop-1-en-2-yl]-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-3-amine
SMILESC=C(Cc1ccc(F)cc1)Nc1c2c(nn1-c1ccc(Cl)cc1)CN(C)C2
InChIInChI=1S/C21H20ClFN4/c1-14(11-15-3-7-17(23)8-4-15)24-21-19-12-26(2)13-20(19)25-27(21)18-9-5-16(22)6-10-18/h3-10,24H,1,11-13H2,2H3
InChIKeyQWLGNHOTRJSRTH-UHFFFAOYSA-N
MW382.87 g/mol
LogP4.78
Rot. Bonds5

About 2-(4-chlorophenyl)-N-[3-(4-fluorophenyl)prop-1-en-2-yl]-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-3-amine

2-(4-chlorophenyl)-N-[3-(4-fluorophenyl)prop-1-en-2-yl]-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-3-amine (PubChem CID 143071550) has the molecular formula C21H20ClFN4 and a molecular weight of 382.87 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[3-(4-fluorophenyl)prop-1-en-2-yl]-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-3-amine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[3-(4-fluorophenyl)prop-1-en-2-yl]-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-3-amine
PubChem CID143071550
Molecular FormulaC21H20ClFN4
Molecular Weight382.87 g/mol
Exact Mass382.14
IUPAC Name2-(4-chlorophenyl)-N-[3-(4-fluorophenyl)prop-1-en-2-yl]-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-3-amine
SMILESC=C(Cc1ccc(F)cc1)Nc1c2c(nn1-c1ccc(Cl)cc1)CN(C)C2
InChIInChI=1S/C21H20ClFN4/c1-14(11-15-3-7-17(23)8-4-15)24-21-19-12-26(2)13-20(19)25-27(21)18-9-5-16(22)6-10-18/h3-10,24H,1,11-13H2,2H3
InChIKeyQWLGNHOTRJSRTH-UHFFFAOYSA-N
XLogP4.78
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.87
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[3-(4-fluorophenyl)prop-1-en-2-yl]-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-3-amine?
The IUPAC name of 2-(4-chlorophenyl)-N-[3-(4-fluorophenyl)prop-1-en-2-yl]-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-3-amine (CID 143071550) is 2-(4-chlorophenyl)-N-[3-(4-fluorophenyl)prop-1-en-2-yl]-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-3-amine.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[3-(4-fluorophenyl)prop-1-en-2-yl]-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-3-amine?
The canonical SMILES for 2-(4-chlorophenyl)-N-[3-(4-fluorophenyl)prop-1-en-2-yl]-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-3-amine is C=C(Cc1ccc(F)cc1)Nc1c2c(nn1-c1ccc(Cl)cc1)CN(C)C2.
What is the InChIKey of 2-(4-chlorophenyl)-N-[3-(4-fluorophenyl)prop-1-en-2-yl]-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-3-amine?
The InChIKey is QWLGNHOTRJSRTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClFN4/c1-14(11-15-3-7-17(23)8-4-15)24-21-19-12-26(2)13-20(19)25-27(21)18-9-5-16(22)6-10-18/h3-10,24H,1,11-13H2,2H3.
What are the key properties of 2-(4-chlorophenyl)-N-[3-(4-fluorophenyl)prop-1-en-2-yl]-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-3-amine?
2-(4-chlorophenyl)-N-[3-(4-fluorophenyl)prop-1-en-2-yl]-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-3-amine has a molecular weight of 382.87 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[3-(4-fluorophenyl)prop-1-en-2-yl]-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-3-amine is sourced from PubChem (CID 143071550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).