1-(4-chlorophenyl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-3-amine

C11H11ClN4 — CID 83868840

IUPAC1-(4-chlorophenyl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-3-amine
SMILESNc1nn(-c2ccc(Cl)cc2)c2c1CNC2
InChIInChI=1S/C11H11ClN4/c12-7-1-3-8(4-2-7)16-10-6-14-5-9(10)11(13)15-16/h1-4,14H,5-6H2,(H2,13,15)
InChIKeyOQXFVAKAOZDEAR-UHFFFAOYSA-N
MW234.69 g/mol
LogP1.71
Rot. Bonds1

About 1-(4-chlorophenyl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-3-amine

1-(4-chlorophenyl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-3-amine (PubChem CID 83868840) has the molecular formula C11H11ClN4 and a molecular weight of 234.69 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-3-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-3-amine
PubChem CID83868840
Molecular FormulaC11H11ClN4
Molecular Weight234.69 g/mol
Exact Mass234.07
IUPAC Name1-(4-chlorophenyl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-3-amine
SMILESNc1nn(-c2ccc(Cl)cc2)c2c1CNC2
InChIInChI=1S/C11H11ClN4/c12-7-1-3-8(4-2-7)16-10-6-14-5-9(10)11(13)15-16/h1-4,14H,5-6H2,(H2,13,15)
InChIKeyOQXFVAKAOZDEAR-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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Related Compounds

1-(3-chlorophenyl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-3-amine
CID 83868837
1-(4-chlorophenyl)-4,6-dihydrofuro[3,4-d]pyrazol-3-amine
CID 83868838
1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-amine;hydrochloride
CID 122156936
ethyl 1-(4-chlorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate
CID 82587186
1-(4-chlorophenyl)-5-cyclopropyltriazol-4-amine
CID 79501505
2-(3-chlorophenyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-3-amine
CID 83868844
1-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindazol-3-amine
CID 102942537
3-tert-butyl-1-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 82586985
1-(4-chlorophenyl)-3-propan-2-ylpyrazol-5-amine
CID 43381271
4-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]piperidine;hydrochloride
CID 122638175
3-chloro-2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazole
CID 83192765
5-(2-aminoethyl)-1-(4-chlorophenyl)pyrazol-3-amine
CID 83868883

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-3-amine?
The IUPAC name of 1-(4-chlorophenyl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-3-amine (CID 83868840) is 1-(4-chlorophenyl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-3-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-3-amine?
The canonical SMILES for 1-(4-chlorophenyl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-3-amine is Nc1nn(-c2ccc(Cl)cc2)c2c1CNC2.
What is the InChIKey of 1-(4-chlorophenyl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-3-amine?
The InChIKey is OQXFVAKAOZDEAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4/c12-7-1-3-8(4-2-7)16-10-6-14-5-9(10)11(13)15-16/h1-4,14H,5-6H2,(H2,13,15).
What are the key properties of 1-(4-chlorophenyl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-3-amine?
1-(4-chlorophenyl)-5,6-dihydro-4H-pyrrolo[3,4-d]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 1-(4-chlorophenyl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-3-amine is sourced from PubChem (CID 83868840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).