1-(5-benzyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)-N-methylmethanamine

C14H18N4 — CID 83870575

IUPAC1-(5-benzyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)-N-methylmethanamine
SMILESCNCc1n[nH]c2c1CN(Cc1ccccc1)C2
InChIInChI=1S/C14H18N4/c1-15-7-13-12-9-18(10-14(12)17-16-13)8-11-5-3-2-4-6-11/h2-6,15H,7-10H2,1H3,(H,16,17)
InChIKeyFVGACXFUARNMGY-UHFFFAOYSA-N
MW242.33 g/mol
LogP1.64
Rot. Bonds4

About 1-(5-benzyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)-N-methylmethanamine

1-(5-benzyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)-N-methylmethanamine (PubChem CID 83870575) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 1-(5-benzyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-benzyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)-N-methylmethanamine
PubChem CID83870575
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name1-(5-benzyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)-N-methylmethanamine
SMILESCNCc1n[nH]c2c1CN(Cc1ccccc1)C2
InChIInChI=1S/C14H18N4/c1-15-7-13-12-9-18(10-14(12)17-16-13)8-11-5-3-2-4-6-11/h2-6,15H,7-10H2,1H3,(H,16,17)
InChIKeyFVGACXFUARNMGY-UHFFFAOYSA-N
XLogP1.64
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-benzyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)propan-2-amine
CID 83851652
N-methyl-1-(5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanamine
CID 54847437
N-methyl-1-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanamine
CID 3157469
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
5-benzyl-3-(2,3-dichlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110535258
5-benzyl-3-pyrrolidin-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 172908815
5-benzyl-N-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-amine
CID 83870694
2-benzyl-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one
CID 15321506
3-benzyl-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole
CID 112710449
5-benzyl-3-(3-propan-2-yloxyphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110536008
2-(4-benzylmorpholin-2-yl)-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide
CID 118769797
5-(2-phenylethyl)-3-(2H-pyridin-1-yl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole
CID 141047833

Frequently Asked Questions

What is the IUPAC name of 1-(5-benzyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)-N-methylmethanamine?
The IUPAC name of 1-(5-benzyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)-N-methylmethanamine (CID 83870575) is 1-(5-benzyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-benzyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-(5-benzyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)-N-methylmethanamine is CNCc1n[nH]c2c1CN(Cc1ccccc1)C2.
What is the InChIKey of 1-(5-benzyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)-N-methylmethanamine?
The InChIKey is FVGACXFUARNMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-15-7-13-12-9-18(10-14(12)17-16-13)8-11-5-3-2-4-6-11/h2-6,15H,7-10H2,1H3,(H,16,17).
What are the key properties of 1-(5-benzyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)-N-methylmethanamine?
1-(5-benzyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)-N-methylmethanamine has a molecular weight of 242.33 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-benzyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)-N-methylmethanamine is sourced from PubChem (CID 83870575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).