2-(2-methylphenyl)-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine

C13H15N3 — CID 82394167

IUPAC2-(2-methylphenyl)-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine
SMILESCc1ccccc1-n1cc2c(n1)CNCC2
InChIInChI=1S/C13H15N3/c1-10-4-2-3-5-13(10)16-9-11-6-7-14-8-12(11)15-16/h2-5,9,14H,6-8H2,1H3
InChIKeyKNZKWAACWISKSW-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.83
Rot. Bonds1

About 2-(2-methylphenyl)-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine

2-(2-methylphenyl)-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine (PubChem CID 82394167) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-(2-methylphenyl)-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name2-(2-methylphenyl)-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine
PubChem CID82394167
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name2-(2-methylphenyl)-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine
SMILESCc1ccccc1-n1cc2c(n1)CNCC2
InChIInChI=1S/C13H15N3/c1-10-4-2-3-5-13(10)16-9-11-6-7-14-8-12(11)15-16/h2-5,9,14H,6-8H2,1H3
InChIKeyKNZKWAACWISKSW-UHFFFAOYSA-N
XLogP1.83
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-2-methylphenyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole
CID 82389881
2-methyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine;dihydrochloride
CID 133054039
4-(4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-2-yl)benzoic acid
CID 117275932
3-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)oxy-4-(4,5,6,7-tetrahydropyrazolo[3,4-c]pyridin-2-yl)benzonitrile
CID 167429385
2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole
CID 96626310
4-(4-fluorophenyl)-3-methyl-1-(2-methylphenyl)pyrazole
CID 141089646
1-(2-methylphenyl)diazetidine;hydrate
CID 142118290
[2-(2-methylphenyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-3-yl]methanamine
CID 105422314
2-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 83807839
2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 74892061
1-(2-methylphenyl)-4-pyrrolidin-3-ylpyrazole
CID 105484973
4-methyl-1-(2-methylphenyl)pyrazole
CID 12902538

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine?
The IUPAC name of 2-(2-methylphenyl)-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine (CID 82394167) is 2-(2-methylphenyl)-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine.
What is the SMILES notation for 2-(2-methylphenyl)-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine?
The canonical SMILES for 2-(2-methylphenyl)-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine is Cc1ccccc1-n1cc2c(n1)CNCC2.
What is the InChIKey of 2-(2-methylphenyl)-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine?
The InChIKey is KNZKWAACWISKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c1-10-4-2-3-5-13(10)16-9-11-6-7-14-8-12(11)15-16/h2-5,9,14H,6-8H2,1H3.
What are the key properties of 2-(2-methylphenyl)-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine?
2-(2-methylphenyl)-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine has a molecular weight of 213.28 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine is sourced from PubChem (CID 82394167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).