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

C11H12BrN3O2 — CID 105132487

IUPAC(4-bromo-1-methylpyrazol-5-yl)-(2-methoxy-3-pyridinyl)methanol
SMILESCOc1ncccc1C(O)c1c(Br)cnn1C
InChIInChI=1S/C11H12BrN3O2/c1-15-9(8(12)6-14-15)10(16)7-4-3-5-13-11(7)17-2/h3-6,10,16H,1-2H3
InChIKeyCXHXFHDEPZELAL-UHFFFAOYSA-N
MW298.14 g/mol
LogP1.67
Rot. Bonds3

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

(4-bromo-1-methylpyrazol-5-yl)-(2-methoxy-3-pyridinyl)methanol (PubChem CID 105132487) has the molecular formula C11H12BrN3O2 and a molecular weight of 298.14 g/mol. Its IUPAC name is (4-bromo-1-methylpyrazol-5-yl)-(2-methoxy-3-pyridinyl)methanol.

Molecular Properties

Compound Name(4-bromo-1-methylpyrazol-5-yl)-(2-methoxy-3-pyridinyl)methanol
PubChem CID105132487
Molecular FormulaC11H12BrN3O2
Molecular Weight298.14 g/mol
Exact Mass297.01
IUPAC Name(4-bromo-1-methylpyrazol-5-yl)-(2-methoxy-3-pyridinyl)methanol
SMILESCOc1ncccc1C(O)c1c(Br)cnn1C
InChIInChI=1S/C11H12BrN3O2/c1-15-9(8(12)6-14-15)10(16)7-4-3-5-13-11(7)17-2/h3-6,10,16H,1-2H3
InChIKeyCXHXFHDEPZELAL-UHFFFAOYSA-N
XLogP1.67
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.14
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-bromo-1-methylpyrazol-5-yl)-(2-methoxy-3-pyridinyl)methyl]ethanamine
CID 105189806
(2-methoxy-3-pyridinyl)-(3-methyltriazol-4-yl)methanol
CID 105128734
(2-methoxy-3-pyridinyl)-(2-methylpyrazol-3-yl)methanol
CID 105098313
(4-bromo-1-methylpyrazol-5-yl)-(2-fluorophenyl)methanol
CID 114634713
(4-bromo-1-methylpyrazol-5-yl)-(3-chloro-2-pyridinyl)methanol
CID 103443544
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(2-methoxy-3-pyridinyl)-N-methylmethanamine
CID 105183926
(4-bromo-1-methylpyrazol-5-yl)-(furan-2-yl)methanol
CID 114634352
(4-bromo-1-methylpyrazol-5-yl)-(3-fluoro-4-pyridinyl)methanol
CID 114645155
(4-methoxyphenyl)-(2-methoxy-3-pyridinyl)methanol
CID 22934973
ethane;2-methoxy-3-propan-2-ylpyridine
CID 155741549
(4-bromo-1-methylpyrazol-5-yl)-(2,4,6-trimethoxyphenyl)methanol
CID 114634255
2,3-dihydroxy-3-(2-methoxy-3-pyridinyl)propanoic acid
CID 170823762

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-methylpyrazol-5-yl)-(2-methoxy-3-pyridinyl)methanol?
The IUPAC name of (4-bromo-1-methylpyrazol-5-yl)-(2-methoxy-3-pyridinyl)methanol (CID 105132487) is (4-bromo-1-methylpyrazol-5-yl)-(2-methoxy-3-pyridinyl)methanol.
What is the SMILES notation for (4-bromo-1-methylpyrazol-5-yl)-(2-methoxy-3-pyridinyl)methanol?
The canonical SMILES for (4-bromo-1-methylpyrazol-5-yl)-(2-methoxy-3-pyridinyl)methanol is COc1ncccc1C(O)c1c(Br)cnn1C.
What is the InChIKey of (4-bromo-1-methylpyrazol-5-yl)-(2-methoxy-3-pyridinyl)methanol?
The InChIKey is CXHXFHDEPZELAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O2/c1-15-9(8(12)6-14-15)10(16)7-4-3-5-13-11(7)17-2/h3-6,10,16H,1-2H3.
What are the key properties of (4-bromo-1-methylpyrazol-5-yl)-(2-methoxy-3-pyridinyl)methanol?
(4-bromo-1-methylpyrazol-5-yl)-(2-methoxy-3-pyridinyl)methanol has a molecular weight of 298.14 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-methylpyrazol-5-yl)-(2-methoxy-3-pyridinyl)methanol is sourced from PubChem (CID 105132487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).