[2-(4-bromo-3,5-dimethylpyrazol-1-yl)-5-chloro-4-pyridinyl]methanol

C11H11BrClN3O — CID 114920544

IUPAC[2-(4-bromo-3,5-dimethylpyrazol-1-yl)-5-chloro-4-pyridinyl]methanol
SMILESCc1nn(-c2cc(CO)c(Cl)cn2)c(C)c1Br
InChIInChI=1S/C11H11BrClN3O/c1-6-11(12)7(2)16(15-6)10-3-8(5-17)9(13)4-14-10/h3-4,17H,5H2,1-2H3
InChIKeyAAHHSBKLJPLPJY-UHFFFAOYSA-N
MW316.59 g/mol
LogP2.79
Rot. Bonds2

About [2-(4-bromo-3,5-dimethylpyrazol-1-yl)-5-chloro-4-pyridinyl]methanol

[2-(4-bromo-3,5-dimethylpyrazol-1-yl)-5-chloro-4-pyridinyl]methanol (PubChem CID 114920544) has the molecular formula C11H11BrClN3O and a molecular weight of 316.59 g/mol. Its IUPAC name is [2-(4-bromo-3,5-dimethylpyrazol-1-yl)-5-chloro-4-pyridinyl]methanol.

Molecular Properties

Compound Name[2-(4-bromo-3,5-dimethylpyrazol-1-yl)-5-chloro-4-pyridinyl]methanol
PubChem CID114920544
Molecular FormulaC11H11BrClN3O
Molecular Weight316.59 g/mol
Exact Mass314.98
IUPAC Name[2-(4-bromo-3,5-dimethylpyrazol-1-yl)-5-chloro-4-pyridinyl]methanol
SMILESCc1nn(-c2cc(CO)c(Cl)cn2)c(C)c1Br
InChIInChI=1S/C11H11BrClN3O/c1-6-11(12)7(2)16(15-6)10-3-8(5-17)9(13)4-14-10/h3-4,17H,5H2,1-2H3
InChIKeyAAHHSBKLJPLPJY-UHFFFAOYSA-N
XLogP2.79
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.59
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(4-bromo-3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]methanol
CID 107373030
[2-(4-bromo-3,5-dimethylpyrazol-1-yl)phenyl]methanol
CID 62128391
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-5-methylpyridin-4-amine
CID 83265565
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-5-(chloromethyl)pyrazine
CID 107373610
6-(4-chloro-3,5-dimethylpyrazol-1-yl)-4-methylpyridin-3-amine
CID 79176068
4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-chloro-5-methylpyridine
CID 83267145
N-[[2-(4-bromo-3,5-dimethylpyrazol-1-yl)-4-pyridinyl]methyl]ethanamine
CID 62294452
[5-chloro-2-(3-methoxyazetidin-1-yl)-4-pyridinyl]methanol
CID 167434559
4-(4-bromo-3,5-dimethylpyrazol-1-yl)-6-chloro-2-propylpyrimidine
CID 80945243
2-[6-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-pyridinyl]ethanamine
CID 80634768
5-chloro-4-(chloromethyl)-2-(4,5-dimethylimidazol-1-yl)pyridine
CID 114921158
[5-chloro-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)-4-pyridinyl]methanol
CID 114920553

Frequently Asked Questions

What is the IUPAC name of [2-(4-bromo-3,5-dimethylpyrazol-1-yl)-5-chloro-4-pyridinyl]methanol?
The IUPAC name of [2-(4-bromo-3,5-dimethylpyrazol-1-yl)-5-chloro-4-pyridinyl]methanol (CID 114920544) is [2-(4-bromo-3,5-dimethylpyrazol-1-yl)-5-chloro-4-pyridinyl]methanol.
What is the SMILES notation for [2-(4-bromo-3,5-dimethylpyrazol-1-yl)-5-chloro-4-pyridinyl]methanol?
The canonical SMILES for [2-(4-bromo-3,5-dimethylpyrazol-1-yl)-5-chloro-4-pyridinyl]methanol is Cc1nn(-c2cc(CO)c(Cl)cn2)c(C)c1Br.
What is the InChIKey of [2-(4-bromo-3,5-dimethylpyrazol-1-yl)-5-chloro-4-pyridinyl]methanol?
The InChIKey is AAHHSBKLJPLPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrClN3O/c1-6-11(12)7(2)16(15-6)10-3-8(5-17)9(13)4-14-10/h3-4,17H,5H2,1-2H3.
What are the key properties of [2-(4-bromo-3,5-dimethylpyrazol-1-yl)-5-chloro-4-pyridinyl]methanol?
[2-(4-bromo-3,5-dimethylpyrazol-1-yl)-5-chloro-4-pyridinyl]methanol has a molecular weight of 316.59 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromo-3,5-dimethylpyrazol-1-yl)-5-chloro-4-pyridinyl]methanol is sourced from PubChem (CID 114920544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).