1-(3-chlorophenyl)-3-ethyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine

C14H16ClN3 — CID 82586595

IUPAC1-(3-chlorophenyl)-3-ethyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCCc1nn(-c2cccc(Cl)c2)c2c1CNCC2
InChIInChI=1S/C14H16ClN3/c1-2-13-12-9-16-7-6-14(12)18(17-13)11-5-3-4-10(15)8-11/h3-5,8,16H,2,6-7,9H2,1H3
InChIKeyULOCACPJQLIKGU-UHFFFAOYSA-N
MW261.76 g/mol
LogP2.73
Rot. Bonds2

About 1-(3-chlorophenyl)-3-ethyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine

1-(3-chlorophenyl)-3-ethyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine (PubChem CID 82586595) has the molecular formula C14H16ClN3 and a molecular weight of 261.76 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-ethyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-ethyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
PubChem CID82586595
Molecular FormulaC14H16ClN3
Molecular Weight261.76 g/mol
Exact Mass261.10
IUPAC Name1-(3-chlorophenyl)-3-ethyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCCc1nn(-c2cccc(Cl)c2)c2c1CNCC2
InChIInChI=1S/C14H16ClN3/c1-2-13-12-9-16-7-6-14(12)18(17-13)11-5-3-4-10(15)8-11/h3-5,8,16H,2,6-7,9H2,1H3
InChIKeyULOCACPJQLIKGU-UHFFFAOYSA-N
XLogP2.73
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.76
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-ethyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The IUPAC name of 1-(3-chlorophenyl)-3-ethyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine (CID 82586595) is 1-(3-chlorophenyl)-3-ethyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine.
What is the SMILES notation for 1-(3-chlorophenyl)-3-ethyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The canonical SMILES for 1-(3-chlorophenyl)-3-ethyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine is CCc1nn(-c2cccc(Cl)c2)c2c1CNCC2.
What is the InChIKey of 1-(3-chlorophenyl)-3-ethyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The InChIKey is ULOCACPJQLIKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3/c1-2-13-12-9-16-7-6-14(12)18(17-13)11-5-3-4-10(15)8-11/h3-5,8,16H,2,6-7,9H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-3-ethyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
1-(3-chlorophenyl)-3-ethyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine has a molecular weight of 261.76 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-ethyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 82586595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).