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

C11H10BrCl2N3O — CID 114644778

IUPAC(4-bromo-1-ethylpyrazol-5-yl)-(3,5-dichloro-2-pyridinyl)methanol
SMILESCCn1ncc(Br)c1C(O)c1ncc(Cl)cc1Cl
InChIInChI=1S/C11H10BrCl2N3O/c1-2-17-10(7(12)5-16-17)11(18)9-8(14)3-6(13)4-15-9/h3-5,11,18H,2H2,1H3
InChIKeyZAQIICGNQFYQRP-UHFFFAOYSA-N
MW351.03 g/mol
LogP3.45
Rot. Bonds3

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

(4-bromo-1-ethylpyrazol-5-yl)-(3,5-dichloro-2-pyridinyl)methanol (PubChem CID 114644778) has the molecular formula C11H10BrCl2N3O and a molecular weight of 351.03 g/mol. Its IUPAC name is (4-bromo-1-ethylpyrazol-5-yl)-(3,5-dichloro-2-pyridinyl)methanol.

Molecular Properties

Compound Name(4-bromo-1-ethylpyrazol-5-yl)-(3,5-dichloro-2-pyridinyl)methanol
PubChem CID114644778
Molecular FormulaC11H10BrCl2N3O
Molecular Weight351.03 g/mol
Exact Mass348.94
IUPAC Name(4-bromo-1-ethylpyrazol-5-yl)-(3,5-dichloro-2-pyridinyl)methanol
SMILESCCn1ncc(Br)c1C(O)c1ncc(Cl)cc1Cl
InChIInChI=1S/C11H10BrCl2N3O/c1-2-17-10(7(12)5-16-17)11(18)9-8(14)3-6(13)4-15-9/h3-5,11,18H,2H2,1H3
InChIKeyZAQIICGNQFYQRP-UHFFFAOYSA-N
XLogP3.45
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.03
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-bromo-1-ethylpyrazol-5-yl)-(3,5-dichloro-2-pyridinyl)methyl]ethanamine
CID 114657958
(2-bromo-4-chlorophenyl)-(4-bromo-1-ethylpyrazol-5-yl)methanol
CID 114637363
(3,5-dichloro-2-pyridinyl)-(4-methoxy-1-propylpyrazol-5-yl)methanol
CID 114644779
(4-bromo-1-ethylpyrazol-5-yl)-(2,4,6-trimethylphenyl)methanol
CID 114634828
(4-bromo-1-ethylpyrazol-5-yl)-phenylmethanol
CID 114634339
(4-bromo-1-ethylpyrazol-5-yl)-(2,5-dibromophenyl)methanol
CID 115834800
(4-bromo-1-ethylpyrazol-5-yl)-(2-bromophenyl)methanol
CID 114634896
(4-bromo-1-ethylpyrazol-5-yl)-(3-bromo-5-methylphenyl)methanol
CID 115834761
(4-chloro-1-ethylpyrazol-5-yl)-(3,5-dibromophenyl)methanol
CID 107978678
2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(3,5-dichloro-2-pyridinyl)ethanamine
CID 79783500
(4-bromo-1-ethylpyrazol-5-yl)-(5-chloro-2-pyridinyl)methanamine
CID 114658333
(4-bromo-1-ethylpyrazol-5-yl)-pyrimidin-4-ylmethanol
CID 114635769

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-ethylpyrazol-5-yl)-(3,5-dichloro-2-pyridinyl)methanol?
The IUPAC name of (4-bromo-1-ethylpyrazol-5-yl)-(3,5-dichloro-2-pyridinyl)methanol (CID 114644778) is (4-bromo-1-ethylpyrazol-5-yl)-(3,5-dichloro-2-pyridinyl)methanol.
What is the SMILES notation for (4-bromo-1-ethylpyrazol-5-yl)-(3,5-dichloro-2-pyridinyl)methanol?
The canonical SMILES for (4-bromo-1-ethylpyrazol-5-yl)-(3,5-dichloro-2-pyridinyl)methanol is CCn1ncc(Br)c1C(O)c1ncc(Cl)cc1Cl.
What is the InChIKey of (4-bromo-1-ethylpyrazol-5-yl)-(3,5-dichloro-2-pyridinyl)methanol?
The InChIKey is ZAQIICGNQFYQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrCl2N3O/c1-2-17-10(7(12)5-16-17)11(18)9-8(14)3-6(13)4-15-9/h3-5,11,18H,2H2,1H3.
What are the key properties of (4-bromo-1-ethylpyrazol-5-yl)-(3,5-dichloro-2-pyridinyl)methanol?
(4-bromo-1-ethylpyrazol-5-yl)-(3,5-dichloro-2-pyridinyl)methanol has a molecular weight of 351.03 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-ethylpyrazol-5-yl)-(3,5-dichloro-2-pyridinyl)methanol is sourced from PubChem (CID 114644778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).