[1-[(2-bromophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methanol

C13H15BrN2O — CID 43647395

IUPAC[1-[(2-bromophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methanol
SMILESCc1nn(Cc2ccccc2Br)c(C)c1CO
InChIInChI=1S/C13H15BrN2O/c1-9-12(8-17)10(2)16(15-9)7-11-5-3-4-6-13(11)14/h3-6,17H,7-8H2,1-2H3
InChIKeyQKLXZEMXQODVDZ-UHFFFAOYSA-N
MW295.18 g/mol
LogP2.80
Rot. Bonds3

About [1-[(2-bromophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methanol

[1-[(2-bromophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methanol (PubChem CID 43647395) has the molecular formula C13H15BrN2O and a molecular weight of 295.18 g/mol. Its IUPAC name is [1-[(2-bromophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[(2-bromophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methanol
PubChem CID43647395
Molecular FormulaC13H15BrN2O
Molecular Weight295.18 g/mol
Exact Mass294.04
IUPAC Name[1-[(2-bromophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methanol
SMILESCc1nn(Cc2ccccc2Br)c(C)c1CO
InChIInChI=1S/C13H15BrN2O/c1-9-12(8-17)10(2)16(15-9)7-11-5-3-4-6-13(11)14/h3-6,17H,7-8H2,1-2H3
InChIKeyQKLXZEMXQODVDZ-UHFFFAOYSA-N
XLogP2.80
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-[(2-bromophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-methylpropanoic acid
CID 65296472
[3,5-dimethyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]methanol
CID 115069729
methyl 2-[2-[[4-(hydroxymethyl)-3,5-dimethylpyrazol-1-yl]methyl]phenyl]acetate
CID 115463151
[1-[(2-bromophenyl)methyl]-3,5-diethylpyrazol-4-yl]methanol
CID 82696869
[5-chloro-1-[(2-chlorophenyl)methyl]-3-methylpyrazol-4-yl]methanol
CID 16769903
[2-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]phenyl]methanamine
CID 61238142
1-[(2-bromophenyl)methyl]-5-chloro-3-methyl-4-propan-2-ylpyrazole
CID 66015913
[1-[(5-chloro-2-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]methanol
CID 43647441
3-[1-[(2-hydroxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanoic acid
CID 115069748
1-[(2-bromophenyl)methyl]-5-chloro-3-methylpyrazole-4-carbaldehyde
CID 63276706
[3,5-dimethyl-1-(3-phenylpropyl)pyrazol-4-yl]methanol
CID 43647400
4-fluoro-2-[[4-(hydroxymethyl)-3,5-dimethylpyrazol-1-yl]methyl]benzonitrile
CID 107906593

Frequently Asked Questions

What is the IUPAC name of [1-[(2-bromophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methanol?
The IUPAC name of [1-[(2-bromophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methanol (CID 43647395) is [1-[(2-bromophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methanol.
What is the SMILES notation for [1-[(2-bromophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methanol?
The canonical SMILES for [1-[(2-bromophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methanol is Cc1nn(Cc2ccccc2Br)c(C)c1CO.
What is the InChIKey of [1-[(2-bromophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methanol?
The InChIKey is QKLXZEMXQODVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O/c1-9-12(8-17)10(2)16(15-9)7-11-5-3-4-6-13(11)14/h3-6,17H,7-8H2,1-2H3.
What are the key properties of [1-[(2-bromophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methanol?
[1-[(2-bromophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methanol has a molecular weight of 295.18 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-bromophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methanol is sourced from PubChem (CID 43647395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).