3-(4-methylphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine

C13H15N3 — CID 28750449

IUPAC3-(4-methylphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
SMILESCc1ccc(-c2n[nH]c3c2CNCC3)cc1
InChIInChI=1S/C13H15N3/c1-9-2-4-10(5-3-9)13-11-8-14-7-6-12(11)15-16-13/h2-5,14H,6-8H2,1H3,(H,15,16)
InChIKeyNMIYYRKHQJMJAY-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.03
Rot. Bonds1

About 3-(4-methylphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine

3-(4-methylphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine (PubChem CID 28750449) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 3-(4-methylphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-(4-methylphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
PubChem CID28750449
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name3-(4-methylphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
SMILESCc1ccc(-c2n[nH]c3c2CNCC3)cc1
InChIInChI=1S/C13H15N3/c1-9-2-4-10(5-3-9)13-11-8-14-7-6-12(11)15-16-13/h2-5,14H,6-8H2,1H3,(H,15,16)
InChIKeyNMIYYRKHQJMJAY-UHFFFAOYSA-N
XLogP2.03
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine?
The IUPAC name of 3-(4-methylphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine (CID 28750449) is 3-(4-methylphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-(4-methylphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-(4-methylphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine is Cc1ccc(-c2n[nH]c3c2CNCC3)cc1.
What is the InChIKey of 3-(4-methylphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine?
The InChIKey is NMIYYRKHQJMJAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c1-9-2-4-10(5-3-9)13-11-8-14-7-6-12(11)15-16-13/h2-5,14H,6-8H2,1H3,(H,15,16).
What are the key properties of 3-(4-methylphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine?
3-(4-methylphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine has a molecular weight of 213.28 g/mol, XLogP of 2.03, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 28750449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).