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

C12H17N5 — CID 105489962

IUPAC2-(1-methylpiperidin-4-yl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-3-carbonitrile
SMILESCN1CCC(n2nc3c(c2C#N)CNC3)CC1
InChIInChI=1S/C12H17N5/c1-16-4-2-9(3-5-16)17-12(6-13)10-7-14-8-11(10)15-17/h9,14H,2-5,7-8H2,1H3
InChIKeyQFPFHCDRARFTPK-UHFFFAOYSA-N
MW231.30 g/mol
LogP0.62
Rot. Bonds1

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

2-(1-methylpiperidin-4-yl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-3-carbonitrile (PubChem CID 105489962) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-(1-methylpiperidin-4-yl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-3-carbonitrile.

Molecular Properties

Compound Name2-(1-methylpiperidin-4-yl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-3-carbonitrile
PubChem CID105489962
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name2-(1-methylpiperidin-4-yl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-3-carbonitrile
SMILESCN1CCC(n2nc3c(c2C#N)CNC3)CC1
InChIInChI=1S/C12H17N5/c1-16-4-2-9(3-5-16)17-12(6-13)10-7-14-8-11(10)15-17/h9,14H,2-5,7-8H2,1H3
InChIKeyQFPFHCDRARFTPK-UHFFFAOYSA-N
XLogP0.62
TPSA56.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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

Launch Full Analysis

Related Compounds

2-piperidin-4-yl-4,6-dihydrofuro[3,4-c]pyrazole-3-carbonitrile
CID 105472552
2-cyclopropyl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazole-3-carbonitrile
CID 105457821
2-methyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine-3-carbonitrile
CID 105431907
2-(oxan-4-yl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbonitrile
CID 105471198
2-cyclobutyl-4,6-dihydrofuro[3,4-c]pyrazole-3-carbonitrile
CID 105443534
2-cyclobutyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-3-amine
CID 105437712
2-cycloheptyl-4,6-dihydrofuro[3,4-c]pyrazole-3-carbonitrile
CID 105489761
2-cyclopentyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-3-carboxylic acid
CID 105477534
2-(1-methylpiperidin-4-yl)pyrazole-3-carbonitrile
CID 84732987
2-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine-3-carbonitrile
CID 105456674
3,5-dimethyl-1-(1-methylpyrrolidin-3-yl)pyrazole-4-carbonitrile
CID 105456652
2-cyclopentyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine-3-carboxylic acid
CID 105496410

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperidin-4-yl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-3-carbonitrile?
The IUPAC name of 2-(1-methylpiperidin-4-yl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-3-carbonitrile (CID 105489962) is 2-(1-methylpiperidin-4-yl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-3-carbonitrile.
What is the SMILES notation for 2-(1-methylpiperidin-4-yl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-3-carbonitrile?
The canonical SMILES for 2-(1-methylpiperidin-4-yl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-3-carbonitrile is CN1CCC(n2nc3c(c2C#N)CNC3)CC1.
What is the InChIKey of 2-(1-methylpiperidin-4-yl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-3-carbonitrile?
The InChIKey is QFPFHCDRARFTPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-16-4-2-9(3-5-16)17-12(6-13)10-7-14-8-11(10)15-17/h9,14H,2-5,7-8H2,1H3.
What are the key properties of 2-(1-methylpiperidin-4-yl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-3-carbonitrile?
2-(1-methylpiperidin-4-yl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-3-carbonitrile has a molecular weight of 231.30 g/mol, XLogP of 0.62, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpiperidin-4-yl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-3-carbonitrile is sourced from PubChem (CID 105489962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).