[2-bromo-4-(3,5-diethylpyrazol-1-yl)phenyl]methanol

C14H17BrN2O — CID 114060384

IUPAC[2-bromo-4-(3,5-diethylpyrazol-1-yl)phenyl]methanol
SMILESCCc1cc(CC)n(-c2ccc(CO)c(Br)c2)n1
InChIInChI=1S/C14H17BrN2O/c1-3-11-7-12(4-2)17(16-11)13-6-5-10(9-18)14(15)8-13/h5-8,18H,3-4,9H2,1-2H3
InChIKeyRBQPNJFKEVOCIP-UHFFFAOYSA-N
MW309.21 g/mol
LogP3.25
Rot. Bonds4

About [2-bromo-4-(3,5-diethylpyrazol-1-yl)phenyl]methanol

[2-bromo-4-(3,5-diethylpyrazol-1-yl)phenyl]methanol (PubChem CID 114060384) has the molecular formula C14H17BrN2O and a molecular weight of 309.21 g/mol. Its IUPAC name is [2-bromo-4-(3,5-diethylpyrazol-1-yl)phenyl]methanol.

Molecular Properties

Compound Name[2-bromo-4-(3,5-diethylpyrazol-1-yl)phenyl]methanol
PubChem CID114060384
Molecular FormulaC14H17BrN2O
Molecular Weight309.21 g/mol
Exact Mass308.05
IUPAC Name[2-bromo-4-(3,5-diethylpyrazol-1-yl)phenyl]methanol
SMILESCCc1cc(CC)n(-c2ccc(CO)c(Br)c2)n1
InChIInChI=1S/C14H17BrN2O/c1-3-11-7-12(4-2)17(16-11)13-6-5-10(9-18)14(15)8-13/h5-8,18H,3-4,9H2,1-2H3
InChIKeyRBQPNJFKEVOCIP-UHFFFAOYSA-N
XLogP3.25
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.21
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-4-(3,5-diethylpyrazol-1-yl)benzamide
CID 107282940
2-bromo-4-(3,5-diethylpyrazol-1-yl)benzenecarboximidamide
CID 107279465
4-(3,5-diethylpyrazol-1-yl)-2-methylaniline
CID 82693662
4-(3,5-diethylpyrazol-1-yl)pyridine
CID 82700412
1-[4-(3,5-diethylpyrazol-1-yl)-2-methylphenyl]butan-2-amine
CID 82699660
(1R)-1-[4-(3,5-diethylpyrazol-1-yl)phenyl]ethanamine
CID 82694547
3-(3,5-diethylpyrazol-1-yl)benzoic acid
CID 82695411
5-bromo-1-(3,5-diethylpyrazol-1-yl)isoquinoline
CID 106543709
4-(3,5-diethylpyrazol-1-yl)-N-ethylpyridine-2-carboxamide
CID 82698465
2-bromo-6-(3,5-diethylpyrazol-1-yl)benzenecarbothioamide
CID 114882799
[1-(4-chlorophenyl)-5-ethylpyrazol-3-yl]methanamine
CID 115041268
5-bromo-2-(3,5-diethylpyrazol-1-yl)benzoic acid
CID 114896077

Frequently Asked Questions

What is the IUPAC name of [2-bromo-4-(3,5-diethylpyrazol-1-yl)phenyl]methanol?
The IUPAC name of [2-bromo-4-(3,5-diethylpyrazol-1-yl)phenyl]methanol (CID 114060384) is [2-bromo-4-(3,5-diethylpyrazol-1-yl)phenyl]methanol.
What is the SMILES notation for [2-bromo-4-(3,5-diethylpyrazol-1-yl)phenyl]methanol?
The canonical SMILES for [2-bromo-4-(3,5-diethylpyrazol-1-yl)phenyl]methanol is CCc1cc(CC)n(-c2ccc(CO)c(Br)c2)n1.
What is the InChIKey of [2-bromo-4-(3,5-diethylpyrazol-1-yl)phenyl]methanol?
The InChIKey is RBQPNJFKEVOCIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O/c1-3-11-7-12(4-2)17(16-11)13-6-5-10(9-18)14(15)8-13/h5-8,18H,3-4,9H2,1-2H3.
What are the key properties of [2-bromo-4-(3,5-diethylpyrazol-1-yl)phenyl]methanol?
[2-bromo-4-(3,5-diethylpyrazol-1-yl)phenyl]methanol has a molecular weight of 309.21 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-bromo-4-(3,5-diethylpyrazol-1-yl)phenyl]methanol is sourced from PubChem (CID 114060384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).