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

C12H13Cl2N3 — CID 45265502

IUPAC3-(4-chlorophenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;hydrochloride
SMILESCl.Clc1ccc(-c2n[nH]c3c2CNCC3)cc1
InChIInChI=1S/C12H12ClN3.ClH/c13-9-3-1-8(2-4-9)12-10-7-14-6-5-11(10)15-16-12;/h1-4,14H,5-7H2,(H,15,16);1H
InChIKeyDHNXYOPPZRYBMB-UHFFFAOYSA-N
MW270.16 g/mol
LogP2.80
Rot. Bonds1

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

3-(4-chlorophenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;hydrochloride (PubChem CID 45265502) has the molecular formula C12H13Cl2N3 and a molecular weight of 270.16 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;hydrochloride.

Molecular Properties

Compound Name3-(4-chlorophenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;hydrochloride
PubChem CID45265502
Molecular FormulaC12H13Cl2N3
Molecular Weight270.16 g/mol
Exact Mass269.05
IUPAC Name3-(4-chlorophenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;hydrochloride
SMILESCl.Clc1ccc(-c2n[nH]c3c2CNCC3)cc1
InChIInChI=1S/C12H12ClN3.ClH/c13-9-3-1-8(2-4-9)12-10-7-14-6-5-11(10)15-16-12;/h1-4,14H,5-7H2,(H,15,16);1H
InChIKeyDHNXYOPPZRYBMB-UHFFFAOYSA-N
XLogP2.80
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.16
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;hydrochloride?
The IUPAC name of 3-(4-chlorophenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;hydrochloride (CID 45265502) is 3-(4-chlorophenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;hydrochloride.
What is the SMILES notation for 3-(4-chlorophenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;hydrochloride?
The canonical SMILES for 3-(4-chlorophenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;hydrochloride is Cl.Clc1ccc(-c2n[nH]c3c2CNCC3)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;hydrochloride?
The InChIKey is DHNXYOPPZRYBMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3.ClH/c13-9-3-1-8(2-4-9)12-10-7-14-6-5-11(10)15-16-12;/h1-4,14H,5-7H2,(H,15,16);1H.
What are the key properties of 3-(4-chlorophenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;hydrochloride?
3-(4-chlorophenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;hydrochloride has a molecular weight of 270.16 g/mol, XLogP of 2.80, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;hydrochloride is sourced from PubChem (CID 45265502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).