(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2,6-dimethylphenyl)methanol

C15H19BrN2O — CID 114637867

IUPAC(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2,6-dimethylphenyl)methanol
SMILESCc1cccc(C)c1C(O)c1c(Br)cnn1C(C)C
InChIInChI=1S/C15H19BrN2O/c1-9(2)18-14(12(16)8-17-18)15(19)13-10(3)6-5-7-11(13)4/h5-9,15,19H,1-4H3
InChIKeyOFYWUJCFLOVLJS-UHFFFAOYSA-N
MW323.23 g/mol
LogP3.93
Rot. Bonds3

About (4-bromo-1-propan-2-ylpyrazol-5-yl)-(2,6-dimethylphenyl)methanol

(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2,6-dimethylphenyl)methanol (PubChem CID 114637867) has the molecular formula C15H19BrN2O and a molecular weight of 323.23 g/mol. Its IUPAC name is (4-bromo-1-propan-2-ylpyrazol-5-yl)-(2,6-dimethylphenyl)methanol.

Molecular Properties

Compound Name(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2,6-dimethylphenyl)methanol
PubChem CID114637867
Molecular FormulaC15H19BrN2O
Molecular Weight323.23 g/mol
Exact Mass322.07
IUPAC Name(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2,6-dimethylphenyl)methanol
SMILESCc1cccc(C)c1C(O)c1c(Br)cnn1C(C)C
InChIInChI=1S/C15H19BrN2O/c1-9(2)18-14(12(16)8-17-18)15(19)13-10(3)6-5-7-11(13)4/h5-9,15,19H,1-4H3
InChIKeyOFYWUJCFLOVLJS-UHFFFAOYSA-N
XLogP3.93
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.23
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-methylphenyl)methanamine
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(4-bromo-1-propan-2-ylpyrazol-5-yl)-(5-bromo-2-pyridinyl)methanol
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(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-methyl-4-pyridinyl)methanol
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1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-phenylethanol
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(4-bromo-3-fluorophenyl)-(4-bromo-1-propan-2-ylpyrazol-5-yl)methanol
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1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2,3-dimethylbutan-1-ol
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1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-3-methylbutane-1,2-diol
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(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2,5-dichlorophenyl)methanol
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(4-bromo-1-propan-2-ylpyrazol-5-yl)-[4-(methoxymethyl)phenyl]methanol
CID 114636389
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-chloro-4-fluorophenyl)methanol
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Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-propan-2-ylpyrazol-5-yl)-(2,6-dimethylphenyl)methanol?
The IUPAC name of (4-bromo-1-propan-2-ylpyrazol-5-yl)-(2,6-dimethylphenyl)methanol (CID 114637867) is (4-bromo-1-propan-2-ylpyrazol-5-yl)-(2,6-dimethylphenyl)methanol.
What is the SMILES notation for (4-bromo-1-propan-2-ylpyrazol-5-yl)-(2,6-dimethylphenyl)methanol?
The canonical SMILES for (4-bromo-1-propan-2-ylpyrazol-5-yl)-(2,6-dimethylphenyl)methanol is Cc1cccc(C)c1C(O)c1c(Br)cnn1C(C)C.
What is the InChIKey of (4-bromo-1-propan-2-ylpyrazol-5-yl)-(2,6-dimethylphenyl)methanol?
The InChIKey is OFYWUJCFLOVLJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O/c1-9(2)18-14(12(16)8-17-18)15(19)13-10(3)6-5-7-11(13)4/h5-9,15,19H,1-4H3.
What are the key properties of (4-bromo-1-propan-2-ylpyrazol-5-yl)-(2,6-dimethylphenyl)methanol?
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2,6-dimethylphenyl)methanol has a molecular weight of 323.23 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-propan-2-ylpyrazol-5-yl)-(2,6-dimethylphenyl)methanol is sourced from PubChem (CID 114637867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).