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

C12H12BrN3 — CID 22293621

IUPAC3-(4-bromophenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
SMILESBrc1ccc(-c2n[nH]c3c2CNCC3)cc1
InChIInChI=1S/C12H12BrN3/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)
InChIKeyYVWBWCMTUJBDNF-UHFFFAOYSA-N
MW278.15 g/mol
LogP2.48
Rot. Bonds1

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

3-(4-bromophenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine (PubChem CID 22293621) has the molecular formula C12H12BrN3 and a molecular weight of 278.15 g/mol. Its IUPAC name is 3-(4-bromophenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-(4-bromophenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
PubChem CID22293621
Molecular FormulaC12H12BrN3
Molecular Weight278.15 g/mol
Exact Mass277.02
IUPAC Name3-(4-bromophenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
SMILESBrc1ccc(-c2n[nH]c3c2CNCC3)cc1
InChIInChI=1S/C12H12BrN3/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)
InChIKeyYVWBWCMTUJBDNF-UHFFFAOYSA-N
XLogP2.48
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.15
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine?
The IUPAC name of 3-(4-bromophenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine (CID 22293621) is 3-(4-bromophenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-(4-bromophenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-(4-bromophenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine is Brc1ccc(-c2n[nH]c3c2CNCC3)cc1.
What is the InChIKey of 3-(4-bromophenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine?
The InChIKey is YVWBWCMTUJBDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3/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).
What are the key properties of 3-(4-bromophenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine?
3-(4-bromophenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine has a molecular weight of 278.15 g/mol, XLogP of 2.48, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 22293621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).