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

C11H11BrClN3O — CID 114638191

IUPAC(5-bromo-2-pyridinyl)-(4-chloro-1-ethylpyrazol-5-yl)methanol
SMILESCCn1ncc(Cl)c1C(O)c1ccc(Br)cn1
InChIInChI=1S/C11H11BrClN3O/c1-2-16-10(8(13)6-15-16)11(17)9-4-3-7(12)5-14-9/h3-6,11,17H,2H2,1H3
InChIKeyOEVOVVLSESJAAN-UHFFFAOYSA-N
MW316.59 g/mol
LogP2.80
Rot. Bonds3

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

(5-bromo-2-pyridinyl)-(4-chloro-1-ethylpyrazol-5-yl)methanol (PubChem CID 114638191) has the molecular formula C11H11BrClN3O and a molecular weight of 316.59 g/mol. Its IUPAC name is (5-bromo-2-pyridinyl)-(4-chloro-1-ethylpyrazol-5-yl)methanol.

Molecular Properties

Compound Name(5-bromo-2-pyridinyl)-(4-chloro-1-ethylpyrazol-5-yl)methanol
PubChem CID114638191
Molecular FormulaC11H11BrClN3O
Molecular Weight316.59 g/mol
Exact Mass314.98
IUPAC Name(5-bromo-2-pyridinyl)-(4-chloro-1-ethylpyrazol-5-yl)methanol
SMILESCCn1ncc(Cl)c1C(O)c1ccc(Br)cn1
InChIInChI=1S/C11H11BrClN3O/c1-2-16-10(8(13)6-15-16)11(17)9-4-3-7(12)5-14-9/h3-6,11,17H,2H2,1H3
InChIKeyOEVOVVLSESJAAN-UHFFFAOYSA-N
XLogP2.80
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.59
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-bromo-2-pyridinyl)-(4-chloro-1-ethylpyrazol-5-yl)methyl]ethanamine
CID 114660511
(4-chloro-1-ethylpyrazol-5-yl)-(3,5-dibromophenyl)methanol
CID 107978678
(4-chloro-1-ethylpyrazol-5-yl)-(1,3-thiazol-4-yl)methanol
CID 114638381
(4-chloro-1-propylpyrazol-5-yl)-(5-fluoro-2-pyridinyl)methanol
CID 114644772
(5-chloro-2-pyridinyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol
CID 114644895
(3-bromo-4-fluorophenyl)-(4-chloro-1-ethylpyrazol-5-yl)methanol
CID 114635000
(4-chloro-1-propylpyrazol-5-yl)-pyrimidin-4-ylmethanol
CID 114635773
(4-chloro-1-ethylpyrazol-5-yl)-(1,3-thiazol-5-yl)methanol
CID 114638136
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(5-bromo-2-pyridinyl)methanol
CID 114638199
(5-bromo-2-pyridinyl)-(1-ethylimidazol-2-yl)methanol
CID 62960127
(4-chloro-1-ethylpyrazol-5-yl)-(2,6-dimethyl-3-pyridinyl)methanol
CID 105127775
(4-bromo-1-ethylpyrazol-5-yl)-pyrimidin-4-ylmethanol
CID 114635769

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-pyridinyl)-(4-chloro-1-ethylpyrazol-5-yl)methanol?
The IUPAC name of (5-bromo-2-pyridinyl)-(4-chloro-1-ethylpyrazol-5-yl)methanol (CID 114638191) is (5-bromo-2-pyridinyl)-(4-chloro-1-ethylpyrazol-5-yl)methanol.
What is the SMILES notation for (5-bromo-2-pyridinyl)-(4-chloro-1-ethylpyrazol-5-yl)methanol?
The canonical SMILES for (5-bromo-2-pyridinyl)-(4-chloro-1-ethylpyrazol-5-yl)methanol is CCn1ncc(Cl)c1C(O)c1ccc(Br)cn1.
What is the InChIKey of (5-bromo-2-pyridinyl)-(4-chloro-1-ethylpyrazol-5-yl)methanol?
The InChIKey is OEVOVVLSESJAAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrClN3O/c1-2-16-10(8(13)6-15-16)11(17)9-4-3-7(12)5-14-9/h3-6,11,17H,2H2,1H3.
What are the key properties of (5-bromo-2-pyridinyl)-(4-chloro-1-ethylpyrazol-5-yl)methanol?
(5-bromo-2-pyridinyl)-(4-chloro-1-ethylpyrazol-5-yl)methanol has a molecular weight of 316.59 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-pyridinyl)-(4-chloro-1-ethylpyrazol-5-yl)methanol is sourced from PubChem (CID 114638191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).