2-(5-benzyl-2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-3-yl)ethanamine

C15H20N4 — CID 83870636

IUPAC2-(5-benzyl-2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-3-yl)ethanamine
SMILESCn1nc2c(c1CCN)CN(Cc1ccccc1)C2
InChIInChI=1S/C15H20N4/c1-18-15(7-8-16)13-10-19(11-14(13)17-18)9-12-5-3-2-4-6-12/h2-6H,7-11,16H2,1H3
InChIKeyBJBMQRDSWHOSRC-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.44
Rot. Bonds4

About 2-(5-benzyl-2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-3-yl)ethanamine

2-(5-benzyl-2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-3-yl)ethanamine (PubChem CID 83870636) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-(5-benzyl-2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(5-benzyl-2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-3-yl)ethanamine
PubChem CID83870636
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name2-(5-benzyl-2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-3-yl)ethanamine
SMILESCn1nc2c(c1CCN)CN(Cc1ccccc1)C2
InChIInChI=1S/C15H20N4/c1-18-15(7-8-16)13-10-19(11-14(13)17-18)9-12-5-3-2-4-6-12/h2-6H,7-11,16H2,1H3
InChIKeyBJBMQRDSWHOSRC-UHFFFAOYSA-N
XLogP1.44
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(5-benzyl-2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-3-yl)ethanamine 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-(6-benzyl-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-yl)ethanamine
CID 83870647
2-(6-benzyl-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-3-yl)ethanamine
CID 83870641
2-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl)ethanamine
CID 83851705
5-benzyl-3-isocyanato-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 83920308
2-(6-benzyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-3-yl)ethanamine
CID 82379502
(7R)-5-benzyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-amine
CID 125480994
5-benzyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-amine
CID 118115842
3-benzyl-2-methyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole
CID 112710554
3-(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)propan-1-amine
CID 117205892
2-benzyl-5-chloro-7-methyl-1,3-dihydroisoindol-4-amine
CID 176943908
1-benzyl-4-methylpiperazine;methanamine
CID 174694163
7-benzyl-2-N,2-N-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2,4-diamine
CID 20825762

Frequently Asked Questions

What is the IUPAC name of 2-(5-benzyl-2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-3-yl)ethanamine?
The IUPAC name of 2-(5-benzyl-2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-3-yl)ethanamine (CID 83870636) is 2-(5-benzyl-2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-3-yl)ethanamine.
What is the SMILES notation for 2-(5-benzyl-2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-3-yl)ethanamine?
The canonical SMILES for 2-(5-benzyl-2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-3-yl)ethanamine is Cn1nc2c(c1CCN)CN(Cc1ccccc1)C2.
What is the InChIKey of 2-(5-benzyl-2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-3-yl)ethanamine?
The InChIKey is BJBMQRDSWHOSRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-18-15(7-8-16)13-10-19(11-14(13)17-18)9-12-5-3-2-4-6-12/h2-6H,7-11,16H2,1H3.
What are the key properties of 2-(5-benzyl-2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-3-yl)ethanamine?
2-(5-benzyl-2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-3-yl)ethanamine has a molecular weight of 256.35 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-benzyl-2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-3-yl)ethanamine is sourced from PubChem (CID 83870636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).