5-ethyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;hydrochloride

C14H18ClN3 — CID 45265533

IUPAC5-ethyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;hydrochloride
SMILESCCN1CCc2[nH]nc(-c3ccccc3)c2C1.Cl
InChIInChI=1S/C14H17N3.ClH/c1-2-17-9-8-13-12(10-17)14(16-15-13)11-6-4-3-5-7-11;/h3-7H,2,8-10H2,1H3,(H,15,16);1H
InChIKeyJXVYAXQAJQJKLB-UHFFFAOYSA-N
MW263.77 g/mol
LogP2.88
Rot. Bonds2

About 5-ethyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;hydrochloride

5-ethyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;hydrochloride (PubChem CID 45265533) has the molecular formula C14H18ClN3 and a molecular weight of 263.77 g/mol. Its IUPAC name is 5-ethyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;hydrochloride.

Molecular Properties

Compound Name5-ethyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;hydrochloride
PubChem CID45265533
Molecular FormulaC14H18ClN3
Molecular Weight263.77 g/mol
Exact Mass263.12
IUPAC Name5-ethyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;hydrochloride
SMILESCCN1CCc2[nH]nc(-c3ccccc3)c2C1.Cl
InChIInChI=1S/C14H17N3.ClH/c1-2-17-9-8-13-12(10-17)14(16-15-13)11-6-4-3-5-7-11;/h3-7H,2,8-10H2,1H3,(H,15,16);1H
InChIKeyJXVYAXQAJQJKLB-UHFFFAOYSA-N
XLogP2.88
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;hydrochloride?
The IUPAC name of 5-ethyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;hydrochloride (CID 45265533) is 5-ethyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;hydrochloride.
What is the SMILES notation for 5-ethyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;hydrochloride?
The canonical SMILES for 5-ethyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;hydrochloride is CCN1CCc2[nH]nc(-c3ccccc3)c2C1.Cl.
What is the InChIKey of 5-ethyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;hydrochloride?
The InChIKey is JXVYAXQAJQJKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3.ClH/c1-2-17-9-8-13-12(10-17)14(16-15-13)11-6-4-3-5-7-11;/h3-7H,2,8-10H2,1H3,(H,15,16);1H.
What are the key properties of 5-ethyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;hydrochloride?
5-ethyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;hydrochloride has a molecular weight of 263.77 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;hydrochloride is sourced from PubChem (CID 45265533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).