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

C14H16BrN3 — CID 110538299

IUPAC3-(4-bromophenyl)-5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCCN1CCc2[nH]nc(-c3ccc(Br)cc3)c2C1
InChIInChI=1S/C14H16BrN3/c1-2-18-8-7-13-12(9-18)14(17-16-13)10-3-5-11(15)6-4-10/h3-6H,2,7-9H2,1H3,(H,16,17)
InChIKeyPCXDSYVYEXXSAV-UHFFFAOYSA-N
MW306.21 g/mol
LogP3.22
Rot. Bonds2

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

3-(4-bromophenyl)-5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (PubChem CID 110538299) has the molecular formula C14H16BrN3 and a molecular weight of 306.21 g/mol. Its IUPAC name is 3-(4-bromophenyl)-5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-(4-bromophenyl)-5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
PubChem CID110538299
Molecular FormulaC14H16BrN3
Molecular Weight306.21 g/mol
Exact Mass305.05
IUPAC Name3-(4-bromophenyl)-5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCCN1CCc2[nH]nc(-c3ccc(Br)cc3)c2C1
InChIInChI=1S/C14H16BrN3/c1-2-18-8-7-13-12(9-18)14(17-16-13)10-3-5-11(15)6-4-10/h3-6H,2,7-9H2,1H3,(H,16,17)
InChIKeyPCXDSYVYEXXSAV-UHFFFAOYSA-N
XLogP3.22
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.21
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The IUPAC name of 3-(4-bromophenyl)-5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (CID 110538299) is 3-(4-bromophenyl)-5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-(4-bromophenyl)-5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-(4-bromophenyl)-5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is CCN1CCc2[nH]nc(-c3ccc(Br)cc3)c2C1.
What is the InChIKey of 3-(4-bromophenyl)-5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The InChIKey is PCXDSYVYEXXSAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3/c1-2-18-8-7-13-12(9-18)14(17-16-13)10-3-5-11(15)6-4-10/h3-6H,2,7-9H2,1H3,(H,16,17).
What are the key properties of 3-(4-bromophenyl)-5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
3-(4-bromophenyl)-5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine has a molecular weight of 306.21 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 110538299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).