[2-(2-methylphenyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-3-yl]methanamine

C13H16N4 — CID 105422314

IUPAC[2-(2-methylphenyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-3-yl]methanamine
SMILESCc1ccccc1-n1nc2c(c1CN)CNC2
InChIInChI=1S/C13H16N4/c1-9-4-2-3-5-12(9)17-13(6-14)10-7-15-8-11(10)16-17/h2-5,15H,6-8,14H2,1H3
InChIKeyDZYUYXNFABTDKG-UHFFFAOYSA-N
MW228.30 g/mol
LogP1.24
Rot. Bonds2

About [2-(2-methylphenyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-3-yl]methanamine

[2-(2-methylphenyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-3-yl]methanamine (PubChem CID 105422314) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is [2-(2-methylphenyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-3-yl]methanamine.

Molecular Properties

Compound Name[2-(2-methylphenyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-3-yl]methanamine
PubChem CID105422314
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name[2-(2-methylphenyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-3-yl]methanamine
SMILESCc1ccccc1-n1nc2c(c1CN)CNC2
InChIInChI=1S/C13H16N4/c1-9-4-2-3-5-12(9)17-13(6-14)10-7-15-8-11(10)16-17/h2-5,15H,6-8,14H2,1H3
InChIKeyDZYUYXNFABTDKG-UHFFFAOYSA-N
XLogP1.24
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-benzyl-2-methyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole
CID 112710554
[1-(2-methylphenyl)-4,6-dihydrofuro[3,4-d]pyrazol-3-yl]methanamine
CID 83862188
[3-(2-methylphenyl)-5-propan-2-yltriazol-4-yl]methanamine
CID 105488482
4-(aminomethyl)-1-(2-methylphenyl)pyrazole-3,5-diamine
CID 115056348
[5-ethyl-1-(2-methylphenyl)pyrazol-4-yl]methanamine
CID 66441482
[1-(2-methylphenyl)tetrazol-5-yl]methanamine
CID 62737009
[5-(4-fluorophenyl)-1-(2-methylphenyl)pyrazol-3-yl]methanamine
CID 82072215
2-(2-methylphenyl)-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine
CID 82394167
3-(4-chlorophenyl)-2-(2-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole
CID 102357682
[1-[5-methyl-1-(2-methylphenyl)pyrazol-3-yl]cyclopropyl]methanamine
CID 116818504
[5-methoxy-1-(2-methylphenyl)-3-propan-2-ylpyrazol-4-yl]methanamine
CID 117123535
[5-benzyl-1-(2-methylphenyl)triazol-4-yl]methanamine
CID 82198294

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylphenyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-3-yl]methanamine?
The IUPAC name of [2-(2-methylphenyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-3-yl]methanamine (CID 105422314) is [2-(2-methylphenyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-3-yl]methanamine.
What is the SMILES notation for [2-(2-methylphenyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-3-yl]methanamine?
The canonical SMILES for [2-(2-methylphenyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-3-yl]methanamine is Cc1ccccc1-n1nc2c(c1CN)CNC2.
What is the InChIKey of [2-(2-methylphenyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-3-yl]methanamine?
The InChIKey is DZYUYXNFABTDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-9-4-2-3-5-12(9)17-13(6-14)10-7-15-8-11(10)16-17/h2-5,15H,6-8,14H2,1H3.
What are the key properties of [2-(2-methylphenyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-3-yl]methanamine?
[2-(2-methylphenyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-3-yl]methanamine has a molecular weight of 228.30 g/mol, XLogP of 1.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylphenyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-3-yl]methanamine is sourced from PubChem (CID 105422314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).