(5-bromo-1-ethylpyrazol-4-yl)-(3-bromo-2-pyridinyl)methanol

C11H11Br2N3O — CID 166560132

IUPAC(5-bromo-1-ethylpyrazol-4-yl)-(3-bromo-2-pyridinyl)methanol
SMILESCCn1ncc(C(O)c2ncccc2Br)c1Br
InChIInChI=1S/C11H11Br2N3O/c1-2-16-11(13)7(6-15-16)10(17)9-8(12)4-3-5-14-9/h3-6,10,17H,2H2,1H3
InChIKeyQNRRLPFVQGSJIB-UHFFFAOYSA-N
MW361.04 g/mol
LogP2.90
Rot. Bonds3

About (5-bromo-1-ethylpyrazol-4-yl)-(3-bromo-2-pyridinyl)methanol

(5-bromo-1-ethylpyrazol-4-yl)-(3-bromo-2-pyridinyl)methanol (PubChem CID 166560132) has the molecular formula C11H11Br2N3O and a molecular weight of 361.04 g/mol. Its IUPAC name is (5-bromo-1-ethylpyrazol-4-yl)-(3-bromo-2-pyridinyl)methanol.

Molecular Properties

Compound Name(5-bromo-1-ethylpyrazol-4-yl)-(3-bromo-2-pyridinyl)methanol
PubChem CID166560132
Molecular FormulaC11H11Br2N3O
Molecular Weight361.04 g/mol
Exact Mass358.93
IUPAC Name(5-bromo-1-ethylpyrazol-4-yl)-(3-bromo-2-pyridinyl)methanol
SMILESCCn1ncc(C(O)c2ncccc2Br)c1Br
InChIInChI=1S/C11H11Br2N3O/c1-2-16-11(13)7(6-15-16)10(17)9-8(12)4-3-5-14-9/h3-6,10,17H,2H2,1H3
InChIKeyQNRRLPFVQGSJIB-UHFFFAOYSA-N
XLogP2.90
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.04
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-3-[(5-bromo-1-ethylpyrazol-4-yl)methyl]pyridine;(5-bromo-1-ethylpyrazol-4-yl)-(2-bromo-3-pyridinyl)methanol
CID 164949438
(4-bromo-1-propylpyrazol-5-yl)-(3-fluoro-2-pyridinyl)methanol
CID 114645127
(4-bromo-1-ethylpyrazol-5-yl)-(2-bromophenyl)methanol
CID 114634896
1-(3-bromo-2-pyridinyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanol
CID 113398309
[(3-bromo-2-pyridinyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]hydrazine
CID 105268019
(3-bromo-2-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol
CID 102707906
[(4-bromo-1-ethylpyrazol-5-yl)-(3-ethyl-2-pyridinyl)methyl]hydrazine
CID 105263858
3-amino-2-(5-bromo-1-ethylpyrazol-4-yl)propanoic acid
CID 84806940
1-(3-bromo-2-pyridinyl)-1-(4-chloro-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 114660548
(4-bromo-1-ethylpyrazol-5-yl)-pyrimidin-4-ylmethanol
CID 114635769
(1R)-1-(3-bromo-2-pyridinyl)-2-(ethylamino)ethanol
CID 99981108
1-(3-bromo-2-pyridinyl)-2-(ethylamino)ethanol
CID 102567815

Frequently Asked Questions

What is the IUPAC name of (5-bromo-1-ethylpyrazol-4-yl)-(3-bromo-2-pyridinyl)methanol?
The IUPAC name of (5-bromo-1-ethylpyrazol-4-yl)-(3-bromo-2-pyridinyl)methanol (CID 166560132) is (5-bromo-1-ethylpyrazol-4-yl)-(3-bromo-2-pyridinyl)methanol.
What is the SMILES notation for (5-bromo-1-ethylpyrazol-4-yl)-(3-bromo-2-pyridinyl)methanol?
The canonical SMILES for (5-bromo-1-ethylpyrazol-4-yl)-(3-bromo-2-pyridinyl)methanol is CCn1ncc(C(O)c2ncccc2Br)c1Br.
What is the InChIKey of (5-bromo-1-ethylpyrazol-4-yl)-(3-bromo-2-pyridinyl)methanol?
The InChIKey is QNRRLPFVQGSJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Br2N3O/c1-2-16-11(13)7(6-15-16)10(17)9-8(12)4-3-5-14-9/h3-6,10,17H,2H2,1H3.
What are the key properties of (5-bromo-1-ethylpyrazol-4-yl)-(3-bromo-2-pyridinyl)methanol?
(5-bromo-1-ethylpyrazol-4-yl)-(3-bromo-2-pyridinyl)methanol has a molecular weight of 361.04 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-1-ethylpyrazol-4-yl)-(3-bromo-2-pyridinyl)methanol is sourced from PubChem (CID 166560132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).