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

C13H16BrN3O2 — CID 105066445

IUPAC(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-methoxy-4-pyridinyl)methanol
SMILESCOc1cnccc1C(O)c1c(Br)cnn1C(C)C
InChIInChI=1S/C13H16BrN3O2/c1-8(2)17-12(10(14)6-16-17)13(18)9-4-5-15-7-11(9)19-3/h4-8,13,18H,1-3H3
InChIKeyLUUVQKCLBIABLN-UHFFFAOYSA-N
MW326.19 g/mol
LogP2.71
Rot. Bonds4

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

(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-methoxy-4-pyridinyl)methanol (PubChem CID 105066445) has the molecular formula C13H16BrN3O2 and a molecular weight of 326.19 g/mol. Its IUPAC name is (4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-methoxy-4-pyridinyl)methanol.

Molecular Properties

Compound Name(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-methoxy-4-pyridinyl)methanol
PubChem CID105066445
Molecular FormulaC13H16BrN3O2
Molecular Weight326.19 g/mol
Exact Mass325.04
IUPAC Name(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-methoxy-4-pyridinyl)methanol
SMILESCOc1cnccc1C(O)c1c(Br)cnn1C(C)C
InChIInChI=1S/C13H16BrN3O2/c1-8(2)17-12(10(14)6-16-17)13(18)9-4-5-15-7-11(9)19-3/h4-8,13,18H,1-3H3
InChIKeyLUUVQKCLBIABLN-UHFFFAOYSA-N
XLogP2.71
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.19
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-chloro-2-methoxyphenyl)methanol
CID 115835375
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methanol
CID 115835397
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-fluoro-3-methoxyphenyl)methanol
CID 115835327
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3-methoxy-4-pyridinyl)methanamine
CID 105066069
(4-chloro-1-methylpyrazol-5-yl)-(3-methoxy-4-pyridinyl)methanol
CID 105066457
(4-bromo-1-propan-2-ylpyrazol-5-yl)-[4-(methoxymethyl)phenyl]methanol
CID 114636389
(4-bromo-1-methylpyrazol-5-yl)-(3-methoxy-4-pyridinyl)methanamine
CID 105066155
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2,5-dichlorophenyl)methanol
CID 115835323
(2-bromo-3,4-difluorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanol
CID 107538311
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2,6-dimethylphenyl)methanol
CID 114637867
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-chloro-4-fluorophenyl)methanol
CID 114643499
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(5-bromo-2-pyridinyl)methanol
CID 114638199

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-methoxy-4-pyridinyl)methanol?
The IUPAC name of (4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-methoxy-4-pyridinyl)methanol (CID 105066445) is (4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-methoxy-4-pyridinyl)methanol.
What is the SMILES notation for (4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-methoxy-4-pyridinyl)methanol?
The canonical SMILES for (4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-methoxy-4-pyridinyl)methanol is COc1cnccc1C(O)c1c(Br)cnn1C(C)C.
What is the InChIKey of (4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-methoxy-4-pyridinyl)methanol?
The InChIKey is LUUVQKCLBIABLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3O2/c1-8(2)17-12(10(14)6-16-17)13(18)9-4-5-15-7-11(9)19-3/h4-8,13,18H,1-3H3.
What are the key properties of (4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-methoxy-4-pyridinyl)methanol?
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-methoxy-4-pyridinyl)methanol has a molecular weight of 326.19 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-methoxy-4-pyridinyl)methanol is sourced from PubChem (CID 105066445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).