1-(3-methylphenyl)-3-(1-methylpiperidin-3-yl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole

C18H24N4 — CID 4288897

IUPAC1-(3-methylphenyl)-3-(1-methylpiperidin-3-yl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
SMILESCc1cccc(-n2nc(C3CCCN(C)C3)c3c2NCC3)c1
InChIInChI=1S/C18H24N4/c1-13-5-3-7-15(11-13)22-18-16(8-9-19-18)17(20-22)14-6-4-10-21(2)12-14/h3,5,7,11,14,19H,4,6,8-10,12H2,1-2H3
InChIKeyZOIATYGTPJGLOK-UHFFFAOYSA-N
MW296.42 g/mol
LogP2.96
Rot. Bonds2

About 1-(3-methylphenyl)-3-(1-methylpiperidin-3-yl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole

1-(3-methylphenyl)-3-(1-methylpiperidin-3-yl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole (PubChem CID 4288897) has the molecular formula C18H24N4 and a molecular weight of 296.42 g/mol. Its IUPAC name is 1-(3-methylphenyl)-3-(1-methylpiperidin-3-yl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole.

Molecular Properties

Compound Name1-(3-methylphenyl)-3-(1-methylpiperidin-3-yl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
PubChem CID4288897
Molecular FormulaC18H24N4
Molecular Weight296.42 g/mol
Exact Mass296.20
IUPAC Name1-(3-methylphenyl)-3-(1-methylpiperidin-3-yl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
SMILESCc1cccc(-n2nc(C3CCCN(C)C3)c3c2NCC3)c1
InChIInChI=1S/C18H24N4/c1-13-5-3-7-15(11-13)22-18-16(8-9-19-18)17(20-22)14-6-4-10-21(2)12-14/h3,5,7,11,14,19H,4,6,8-10,12H2,1-2H3
InChIKeyZOIATYGTPJGLOK-UHFFFAOYSA-N
XLogP2.96
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3-methylphenyl)-3-(1-methylpiperidin-3-yl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-3-(1-methylpiperidin-3-yl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
The IUPAC name of 1-(3-methylphenyl)-3-(1-methylpiperidin-3-yl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole (CID 4288897) is 1-(3-methylphenyl)-3-(1-methylpiperidin-3-yl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole.
What is the SMILES notation for 1-(3-methylphenyl)-3-(1-methylpiperidin-3-yl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
The canonical SMILES for 1-(3-methylphenyl)-3-(1-methylpiperidin-3-yl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole is Cc1cccc(-n2nc(C3CCCN(C)C3)c3c2NCC3)c1.
What is the InChIKey of 1-(3-methylphenyl)-3-(1-methylpiperidin-3-yl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
The InChIKey is ZOIATYGTPJGLOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4/c1-13-5-3-7-15(11-13)22-18-16(8-9-19-18)17(20-22)14-6-4-10-21(2)12-14/h3,5,7,11,14,19H,4,6,8-10,12H2,1-2H3.
What are the key properties of 1-(3-methylphenyl)-3-(1-methylpiperidin-3-yl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
1-(3-methylphenyl)-3-(1-methylpiperidin-3-yl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole has a molecular weight of 296.42 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-3-(1-methylpiperidin-3-yl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole is sourced from PubChem (CID 4288897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).