3-[2-[3-(3-bromophenyl)pyrazol-1-yl]ethyl]pyridine

C16H14BrN3 — CID 168964871

IUPAC3-[2-[3-(3-bromophenyl)pyrazol-1-yl]ethyl]pyridine
SMILESBrc1cccc(-c2ccn(CCc3cccnc3)n2)c1
InChIInChI=1S/C16H14BrN3/c17-15-5-1-4-14(11-15)16-7-10-20(19-16)9-6-13-3-2-8-18-12-13/h1-5,7-8,10-12H,6,9H2
InChIKeyHRSWABOWFGVZTP-UHFFFAOYSA-N
MW328.21 g/mol
LogP3.95
Rot. Bonds4

About 3-[2-[3-(3-bromophenyl)pyrazol-1-yl]ethyl]pyridine

3-[2-[3-(3-bromophenyl)pyrazol-1-yl]ethyl]pyridine (PubChem CID 168964871) has the molecular formula C16H14BrN3 and a molecular weight of 328.21 g/mol. Its IUPAC name is 3-[2-[3-(3-bromophenyl)pyrazol-1-yl]ethyl]pyridine.

Molecular Properties

Compound Name3-[2-[3-(3-bromophenyl)pyrazol-1-yl]ethyl]pyridine
PubChem CID168964871
Molecular FormulaC16H14BrN3
Molecular Weight328.21 g/mol
Exact Mass327.04
IUPAC Name3-[2-[3-(3-bromophenyl)pyrazol-1-yl]ethyl]pyridine
SMILESBrc1cccc(-c2ccn(CCc3cccnc3)n2)c1
InChIInChI=1S/C16H14BrN3/c17-15-5-1-4-14(11-15)16-7-10-20(19-16)9-6-13-3-2-8-18-12-13/h1-5,7-8,10-12H,6,9H2
InChIKeyHRSWABOWFGVZTP-UHFFFAOYSA-N
XLogP3.95
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(3-bromophenyl)pyrazol-1-yl]-N,N-dimethylethanamine
CID 174281204
3-(1-benzylpyrazol-3-yl)pyridine
CID 99964671
6-bromo-1-(2-pyridin-3-ylethyl)benzimidazole
CID 90412852
4-methoxy-2-[3-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]phenyl]pyrimidine
CID 28664911
2-[2-(3-pyridin-3-ylpyrazol-1-yl)ethyl]isoindole-1,3-dione
CID 155798792
(2S)-1,1,1-trifluoro-3-[3-(3-pyridin-3-ylphenyl)pyrazol-1-yl]propan-2-ol
CID 28738019
4-(3-bromophenyl)-1-methyl-3-pyridin-3-ylpyrazol-5-amine
CID 43560795
1-bromo-3-phenylbenzene;3-[(3-phenylphenyl)methyl]pyridine;pyridin-3-amine
CID 159368592
(1R)-1-(3-bromophenyl)-N-(2-pyridin-3-ylethyl)ethanamine
CID 81382701
3-(1-sulfanylpyrazol-3-yl)pyridine
CID 67474504
3-bromo-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 60729110
2-[3-phenyl-5-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]anilino]acetic acid
CID 168965601

Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-(3-bromophenyl)pyrazol-1-yl]ethyl]pyridine?
The IUPAC name of 3-[2-[3-(3-bromophenyl)pyrazol-1-yl]ethyl]pyridine (CID 168964871) is 3-[2-[3-(3-bromophenyl)pyrazol-1-yl]ethyl]pyridine.
What is the SMILES notation for 3-[2-[3-(3-bromophenyl)pyrazol-1-yl]ethyl]pyridine?
The canonical SMILES for 3-[2-[3-(3-bromophenyl)pyrazol-1-yl]ethyl]pyridine is Brc1cccc(-c2ccn(CCc3cccnc3)n2)c1.
What is the InChIKey of 3-[2-[3-(3-bromophenyl)pyrazol-1-yl]ethyl]pyridine?
The InChIKey is HRSWABOWFGVZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3/c17-15-5-1-4-14(11-15)16-7-10-20(19-16)9-6-13-3-2-8-18-12-13/h1-5,7-8,10-12H,6,9H2.
What are the key properties of 3-[2-[3-(3-bromophenyl)pyrazol-1-yl]ethyl]pyridine?
3-[2-[3-(3-bromophenyl)pyrazol-1-yl]ethyl]pyridine has a molecular weight of 328.21 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-(3-bromophenyl)pyrazol-1-yl]ethyl]pyridine is sourced from PubChem (CID 168964871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).