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

C12H15BrN2O2 — CID 114638477

IUPAC(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-methylfuran-2-yl)methanol
SMILESCc1ccoc1C(O)c1c(Br)cnn1C(C)C
InChIInChI=1S/C12H15BrN2O2/c1-7(2)15-10(9(13)6-14-15)11(16)12-8(3)4-5-17-12/h4-7,11,16H,1-3H3
InChIKeyJNBZILBPUBQPBM-UHFFFAOYSA-N
MW299.17 g/mol
LogP3.21
Rot. Bonds3

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

(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-methylfuran-2-yl)methanol (PubChem CID 114638477) has the molecular formula C12H15BrN2O2 and a molecular weight of 299.17 g/mol. Its IUPAC name is (4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-methylfuran-2-yl)methanol.

Molecular Properties

Compound Name(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-methylfuran-2-yl)methanol
PubChem CID114638477
Molecular FormulaC12H15BrN2O2
Molecular Weight299.17 g/mol
Exact Mass298.03
IUPAC Name(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-methylfuran-2-yl)methanol
SMILESCc1ccoc1C(O)c1c(Br)cnn1C(C)C
InChIInChI=1S/C12H15BrN2O2/c1-7(2)15-10(9(13)6-14-15)11(16)12-8(3)4-5-17-12/h4-7,11,16H,1-3H3
InChIKeyJNBZILBPUBQPBM-UHFFFAOYSA-N
XLogP3.21
TPSA51.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.17
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-bromo-1-ethylpyrazol-5-yl)-(3-methylfuran-2-yl)methanol
CID 114638472
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2,6-dimethylphenyl)methanol
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(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-methyl-4-pyridinyl)methanol
CID 106756354
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(5-bromo-2-pyridinyl)methanol
CID 114638199
(4-bromo-1-propan-2-ylpyrazol-5-yl)-[4-(methoxymethyl)phenyl]methanol
CID 114636389
2-(4-bromophenyl)-1-(4-bromo-1-propan-2-ylpyrazol-5-yl)ethanol
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1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-phenylethanol
CID 114635561
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-propylpyrazol-3-yl)methanol
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1-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-1-(3-methylfuran-2-yl)methanamine
CID 114660762
(2-bromo-6-fluorophenyl)-(4-bromo-1-propan-2-ylpyrazol-5-yl)methanol
CID 114885779
(4-bromo-3-fluorophenyl)-(4-bromo-1-propan-2-ylpyrazol-5-yl)methanol
CID 114637315
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2,3-dimethylbutan-1-ol
CID 115835347

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-methylfuran-2-yl)methanol?
The IUPAC name of (4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-methylfuran-2-yl)methanol (CID 114638477) is (4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-methylfuran-2-yl)methanol.
What is the SMILES notation for (4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-methylfuran-2-yl)methanol?
The canonical SMILES for (4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-methylfuran-2-yl)methanol is Cc1ccoc1C(O)c1c(Br)cnn1C(C)C.
What is the InChIKey of (4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-methylfuran-2-yl)methanol?
The InChIKey is JNBZILBPUBQPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O2/c1-7(2)15-10(9(13)6-14-15)11(16)12-8(3)4-5-17-12/h4-7,11,16H,1-3H3.
What are the key properties of (4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-methylfuran-2-yl)methanol?
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-methylfuran-2-yl)methanol has a molecular weight of 299.17 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-methylfuran-2-yl)methanol is sourced from PubChem (CID 114638477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).