4-bromo-3-[(5-bromo-1-ethylpyrazol-4-yl)methyl]pyridine;(5-bromo-1-ethylpyrazol-4-yl)-(4-bromo-3-pyridinyl)methanol

C22H22Br4N6O — CID 165037253

IUPAC4-bromo-3-[(5-bromo-1-ethylpyrazol-4-yl)methyl]pyridine;(5-bromo-1-ethylpyrazol-4-yl)-(4-bromo-3-pyridinyl)methanol
SMILESCCn1ncc(C(O)c2cnccc2Br)c1Br.CCn1ncc(Cc2cnccc2Br)c1Br
InChIInChI=1S/C11H11Br2N3O.C11H11Br2N3/c1-2-16-11(13)8(6-15-16)10(17)7-5-14-4-3-9(7)12;1-2-16-11(13)9(7-15-16)5-8-6-14-4-3-10(8)12/h3-6,10,17H,2H2,1H3;3-4,6-7H,2,5H2,1H3
InChIKeyNOOWIKLCPHNGLH-UHFFFAOYSA-N
MW706.08 g/mol
LogP6.32
Rot. Bonds6

About 4-bromo-3-[(5-bromo-1-ethylpyrazol-4-yl)methyl]pyridine;(5-bromo-1-ethylpyrazol-4-yl)-(4-bromo-3-pyridinyl)methanol

4-bromo-3-[(5-bromo-1-ethylpyrazol-4-yl)methyl]pyridine;(5-bromo-1-ethylpyrazol-4-yl)-(4-bromo-3-pyridinyl)methanol (PubChem CID 165037253) has the molecular formula C22H22Br4N6O and a molecular weight of 706.08 g/mol. Its IUPAC name is 4-bromo-3-[(5-bromo-1-ethylpyrazol-4-yl)methyl]pyridine;(5-bromo-1-ethylpyrazol-4-yl)-(4-bromo-3-pyridinyl)methanol.

Molecular Properties

Compound Name4-bromo-3-[(5-bromo-1-ethylpyrazol-4-yl)methyl]pyridine;(5-bromo-1-ethylpyrazol-4-yl)-(4-bromo-3-pyridinyl)methanol
PubChem CID165037253
Molecular FormulaC22H22Br4N6O
Molecular Weight706.08 g/mol
Exact Mass701.86
IUPAC Name4-bromo-3-[(5-bromo-1-ethylpyrazol-4-yl)methyl]pyridine;(5-bromo-1-ethylpyrazol-4-yl)-(4-bromo-3-pyridinyl)methanol
SMILESCCn1ncc(C(O)c2cnccc2Br)c1Br.CCn1ncc(Cc2cnccc2Br)c1Br
InChIInChI=1S/C11H11Br2N3O.C11H11Br2N3/c1-2-16-11(13)8(6-15-16)10(17)7-5-14-4-3-9(7)12;1-2-16-11(13)9(7-15-16)5-8-6-14-4-3-10(8)12/h3-6,10,17H,2H2,1H3;3-4,6-7H,2,5H2,1H3
InChIKeyNOOWIKLCPHNGLH-UHFFFAOYSA-N
XLogP6.32
TPSA81.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500706.08
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-bromo-3-[(5-bromo-1-ethylpyrazol-4-yl)methyl]pyridine;(5-bromo-1-ethylpyrazol-4-yl)-(4-bromo-3-pyridinyl)methanol with MolForge

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Launch Full Analysis

Related Compounds

1-[2-[3-[(5-Bromo-1-ethylpyrazol-4-yl)methyl]-4-pyridinyl]-5-fluorophenyl]ethanol
CID 164719158
1-[2-[4-[(5-Bromo-1-ethylpyrazol-4-yl)methyl]-3-pyridinyl]-5-fluorophenyl]ethanol
CID 164719297
1-[2-[2-[(5-Bromo-1-ethylpyrazol-4-yl)methyl]pyrazol-3-yl]-5-fluoro-3-pyridinyl]ethanol
CID 166559887
2-(5-Bromo-2-pyridinyl)-2-[4-[2-(difluoromethyl)pyrazol-3-yl]pyrazol-1-yl]-1-phenylethanol
CID 167421543
1-Pyridin-3-yl-2-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-3-yl]ethanol
CID 168923982
(5-bromopyridin-3-yl)(4-((4-methyl-1H-pyrazol-1-yl)methyl)phenyl)methanol
CID 117890348
[2-(1-Propan-2-ylpyrazol-3-yl)-3-pyridinyl]methanol;[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methanol
CID 145605935
(3-Bromo-4-pyridinyl)methanol;[3-(2-propan-2-ylpyrazol-3-yl)-4-pyridinyl]methanol;1-propan-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
CID 157740959
1-Pyridin-3-ylpropan-1-ol;1-(1-pyridin-3-ylpropyl)pyrazol-4-amine
CID 160505471
[5-(4-Bromo-1-methylpyrazol-3-yl)-3-pyridinyl]methanol;[5-(1-methylpyrazol-3-yl)-3-pyridinyl]methanol
CID 161264782
(5-Bromo-3-pyridinyl)-(2-methylpyrazol-3-yl)methanol;3,5-dibromopyridine
CID 161596812
3-Bromo-1-methylpyrazole;[5-(1-methylpyrazol-3-yl)-3-pyridinyl]methanol
CID 161961707

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-[(5-bromo-1-ethylpyrazol-4-yl)methyl]pyridine;(5-bromo-1-ethylpyrazol-4-yl)-(4-bromo-3-pyridinyl)methanol?
The IUPAC name of 4-bromo-3-[(5-bromo-1-ethylpyrazol-4-yl)methyl]pyridine;(5-bromo-1-ethylpyrazol-4-yl)-(4-bromo-3-pyridinyl)methanol (CID 165037253) is 4-bromo-3-[(5-bromo-1-ethylpyrazol-4-yl)methyl]pyridine;(5-bromo-1-ethylpyrazol-4-yl)-(4-bromo-3-pyridinyl)methanol.
What is the SMILES notation for 4-bromo-3-[(5-bromo-1-ethylpyrazol-4-yl)methyl]pyridine;(5-bromo-1-ethylpyrazol-4-yl)-(4-bromo-3-pyridinyl)methanol?
The canonical SMILES for 4-bromo-3-[(5-bromo-1-ethylpyrazol-4-yl)methyl]pyridine;(5-bromo-1-ethylpyrazol-4-yl)-(4-bromo-3-pyridinyl)methanol is CCn1ncc(C(O)c2cnccc2Br)c1Br.CCn1ncc(Cc2cnccc2Br)c1Br.
What is the InChIKey of 4-bromo-3-[(5-bromo-1-ethylpyrazol-4-yl)methyl]pyridine;(5-bromo-1-ethylpyrazol-4-yl)-(4-bromo-3-pyridinyl)methanol?
The InChIKey is NOOWIKLCPHNGLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Br2N3O.C11H11Br2N3/c1-2-16-11(13)8(6-15-16)10(17)7-5-14-4-3-9(7)12;1-2-16-11(13)9(7-15-16)5-8-6-14-4-3-10(8)12/h3-6,10,17H,2H2,1H3;3-4,6-7H,2,5H2,1H3.
What are the key properties of 4-bromo-3-[(5-bromo-1-ethylpyrazol-4-yl)methyl]pyridine;(5-bromo-1-ethylpyrazol-4-yl)-(4-bromo-3-pyridinyl)methanol?
4-bromo-3-[(5-bromo-1-ethylpyrazol-4-yl)methyl]pyridine;(5-bromo-1-ethylpyrazol-4-yl)-(4-bromo-3-pyridinyl)methanol has a molecular weight of 706.08 g/mol, XLogP of 6.32, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-[(5-bromo-1-ethylpyrazol-4-yl)methyl]pyridine;(5-bromo-1-ethylpyrazol-4-yl)-(4-bromo-3-pyridinyl)methanol is sourced from PubChem (CID 165037253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).