3-bromo-2-[2-[(5-bromo-1-ethylpyrazol-4-yl)methyl]pyrazol-3-yl]-5-fluoropyridine

C14H12Br2FN5 — CID 166559918

IUPAC3-bromo-2-[2-[(5-bromo-1-ethylpyrazol-4-yl)methyl]pyrazol-3-yl]-5-fluoropyridine
SMILESCCn1ncc(Cn2nccc2-c2ncc(F)cc2Br)c1Br
InChIInChI=1S/C14H12Br2FN5/c1-2-21-14(16)9(6-20-21)8-22-12(3-4-19-22)13-11(15)5-10(17)7-18-13/h3-7H,2,8H2,1H3
InChIKeyZMDLAMWUPGENDM-UHFFFAOYSA-N
MW429.09 g/mol
LogP3.87
Rot. Bonds4

About 3-bromo-2-[2-[(5-bromo-1-ethylpyrazol-4-yl)methyl]pyrazol-3-yl]-5-fluoropyridine

3-bromo-2-[2-[(5-bromo-1-ethylpyrazol-4-yl)methyl]pyrazol-3-yl]-5-fluoropyridine (PubChem CID 166559918) has the molecular formula C14H12Br2FN5 and a molecular weight of 429.09 g/mol. Its IUPAC name is 3-bromo-2-[2-[(5-bromo-1-ethylpyrazol-4-yl)methyl]pyrazol-3-yl]-5-fluoropyridine.

Molecular Properties

Compound Name3-bromo-2-[2-[(5-bromo-1-ethylpyrazol-4-yl)methyl]pyrazol-3-yl]-5-fluoropyridine
PubChem CID166559918
Molecular FormulaC14H12Br2FN5
Molecular Weight429.09 g/mol
Exact Mass426.94
IUPAC Name3-bromo-2-[2-[(5-bromo-1-ethylpyrazol-4-yl)methyl]pyrazol-3-yl]-5-fluoropyridine
SMILESCCn1ncc(Cn2nccc2-c2ncc(F)cc2Br)c1Br
InChIInChI=1S/C14H12Br2FN5/c1-2-21-14(16)9(6-20-21)8-22-12(3-4-19-22)13-11(15)5-10(17)7-18-13/h3-7H,2,8H2,1H3
InChIKeyZMDLAMWUPGENDM-UHFFFAOYSA-N
XLogP3.87
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.09
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-5-propan-2-yl-4-[(5-propan-2-ylpyrazol-1-yl)methyl]pyrazole
CID 155322261
1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]piperazine
CID 84810022
2-(5-bromo-1-ethylpyrazol-4-yl)acetamide
CID 166560098
1-[2-[3-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-4-pyridinyl]-5-fluorophenyl]ethanol
CID 164719158
N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-1-(2-ethylpyrazol-3-yl)methanamine
CID 122169168
2-[(2-bromo-4-fluorophenyl)methyl]-5-[ethyl(methyl)amino]pyridazin-3-one
CID 114396929
4-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-3-[2-(1,3-dioxolan-2-yl)-4-fluorophenyl]-1-methylpyrazole
CID 164718615
[(2-bromo-4-fluorophenyl)-(4-chloro-1-ethylpyrazol-5-yl)methyl]hydrazine
CID 105336356
(4-bromo-1-ethylpyrazol-5-yl)-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 19478906
4-[(4-bromo-1-ethylpyrazol-5-yl)methyl]pyridin-2-amine
CID 114663323
4-(2-ethylpyrazol-3-yl)-2-fluoroaniline
CID 63974391
2-chloro-5-fluoro-4-(2-propylpyrazol-3-yl)pyrimidine
CID 79078668

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-[2-[(5-bromo-1-ethylpyrazol-4-yl)methyl]pyrazol-3-yl]-5-fluoropyridine?
The IUPAC name of 3-bromo-2-[2-[(5-bromo-1-ethylpyrazol-4-yl)methyl]pyrazol-3-yl]-5-fluoropyridine (CID 166559918) is 3-bromo-2-[2-[(5-bromo-1-ethylpyrazol-4-yl)methyl]pyrazol-3-yl]-5-fluoropyridine.
What is the SMILES notation for 3-bromo-2-[2-[(5-bromo-1-ethylpyrazol-4-yl)methyl]pyrazol-3-yl]-5-fluoropyridine?
The canonical SMILES for 3-bromo-2-[2-[(5-bromo-1-ethylpyrazol-4-yl)methyl]pyrazol-3-yl]-5-fluoropyridine is CCn1ncc(Cn2nccc2-c2ncc(F)cc2Br)c1Br.
What is the InChIKey of 3-bromo-2-[2-[(5-bromo-1-ethylpyrazol-4-yl)methyl]pyrazol-3-yl]-5-fluoropyridine?
The InChIKey is ZMDLAMWUPGENDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br2FN5/c1-2-21-14(16)9(6-20-21)8-22-12(3-4-19-22)13-11(15)5-10(17)7-18-13/h3-7H,2,8H2,1H3.
What are the key properties of 3-bromo-2-[2-[(5-bromo-1-ethylpyrazol-4-yl)methyl]pyrazol-3-yl]-5-fluoropyridine?
3-bromo-2-[2-[(5-bromo-1-ethylpyrazol-4-yl)methyl]pyrazol-3-yl]-5-fluoropyridine has a molecular weight of 429.09 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-[2-[(5-bromo-1-ethylpyrazol-4-yl)methyl]pyrazol-3-yl]-5-fluoropyridine is sourced from PubChem (CID 166559918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).