2-(3-chlorophenyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-3-amine

C11H11ClN4 — CID 83868844

IUPAC2-(3-chlorophenyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-3-amine
SMILESNc1c2c(nn1-c1cccc(Cl)c1)CNC2
InChIInChI=1S/C11H11ClN4/c12-7-2-1-3-8(4-7)16-11(13)9-5-14-6-10(9)15-16/h1-4,14H,5-6,13H2
InChIKeyACLAMEFHCWOIFJ-UHFFFAOYSA-N
MW234.69 g/mol
LogP1.71
Rot. Bonds1

About 2-(3-chlorophenyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-3-amine

2-(3-chlorophenyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-3-amine (PubChem CID 83868844) has the molecular formula C11H11ClN4 and a molecular weight of 234.69 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-3-amine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-3-amine
PubChem CID83868844
Molecular FormulaC11H11ClN4
Molecular Weight234.69 g/mol
Exact Mass234.07
IUPAC Name2-(3-chlorophenyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-3-amine
SMILESNc1c2c(nn1-c1cccc(Cl)c1)CNC2
InChIInChI=1S/C11H11ClN4/c12-7-2-1-3-8(4-7)16-11(13)9-5-14-6-10(9)15-16/h1-4,14H,5-6,13H2
InChIKeyACLAMEFHCWOIFJ-UHFFFAOYSA-N
XLogP1.71
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.69
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-3-amine?
The IUPAC name of 2-(3-chlorophenyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-3-amine (CID 83868844) is 2-(3-chlorophenyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-3-amine.
What is the SMILES notation for 2-(3-chlorophenyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-3-amine?
The canonical SMILES for 2-(3-chlorophenyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-3-amine is Nc1c2c(nn1-c1cccc(Cl)c1)CNC2.
What is the InChIKey of 2-(3-chlorophenyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-3-amine?
The InChIKey is ACLAMEFHCWOIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4/c12-7-2-1-3-8(4-7)16-11(13)9-5-14-6-10(9)15-16/h1-4,14H,5-6,13H2.
What are the key properties of 2-(3-chlorophenyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-3-amine?
2-(3-chlorophenyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-3-amine has a molecular weight of 234.69 g/mol, XLogP of 1.71, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-3-amine is sourced from PubChem (CID 83868844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).