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

C15H19BrN2O — CID 82696869

IUPAC[1-[(2-bromophenyl)methyl]-3,5-diethylpyrazol-4-yl]methanol
SMILESCCc1nn(Cc2ccccc2Br)c(CC)c1CO
InChIInChI=1S/C15H19BrN2O/c1-3-14-12(10-19)15(4-2)18(17-14)9-11-7-5-6-8-13(11)16/h5-8,19H,3-4,9-10H2,1-2H3
InChIKeyZVNRXOIHPBGSOR-UHFFFAOYSA-N
MW323.23 g/mol
LogP3.31
Rot. Bonds5

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

[1-[(2-bromophenyl)methyl]-3,5-diethylpyrazol-4-yl]methanol (PubChem CID 82696869) has the molecular formula C15H19BrN2O and a molecular weight of 323.23 g/mol. Its IUPAC name is [1-[(2-bromophenyl)methyl]-3,5-diethylpyrazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[(2-bromophenyl)methyl]-3,5-diethylpyrazol-4-yl]methanol
PubChem CID82696869
Molecular FormulaC15H19BrN2O
Molecular Weight323.23 g/mol
Exact Mass322.07
IUPAC Name[1-[(2-bromophenyl)methyl]-3,5-diethylpyrazol-4-yl]methanol
SMILESCCc1nn(Cc2ccccc2Br)c(CC)c1CO
InChIInChI=1S/C15H19BrN2O/c1-3-14-12(10-19)15(4-2)18(17-14)9-11-7-5-6-8-13(11)16/h5-8,19H,3-4,9-10H2,1-2H3
InChIKeyZVNRXOIHPBGSOR-UHFFFAOYSA-N
XLogP3.31
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.23
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(2-bromo-5-methoxyphenyl)methyl]-3,5-diethylpyrazol-4-yl]methanol
CID 82700758
[1-[(2-chloro-3-fluorophenyl)methyl]-3,5-diethylpyrazol-4-yl]methanol
CID 115984308
[3,5-diethyl-1-[(4-ethylphenyl)methyl]pyrazol-4-yl]methanol
CID 82697742
[1-[(2,4-dichlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]methanol
CID 82697288
[1-[(2-bromophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methanol
CID 43647395
[1-[(3-chlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]methanol
CID 82697489
4-(chloromethyl)-3,5-diethyl-1-[(2-methoxyphenyl)methyl]pyrazole
CID 82700781
[1-[(2-bromo-5-fluorophenyl)methyl]-3,5-diethylpyrazol-4-yl]methanamine
CID 82697692
1-[3,5-diethyl-1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-N-methylmethanamine
CID 82697882
1-[(2-bromophenyl)methyl]-5-chloro-3-ethylpyrazole-4-carbaldehyde
CID 63276748
1-[(2-bromophenyl)methyl]-5-chloro-3-ethyl-4-nitropyrazole
CID 66014509
[1-[2-(3-bromophenoxy)ethyl]-3,5-diethylpyrazol-4-yl]methanol
CID 82700763

Frequently Asked Questions

What is the IUPAC name of [1-[(2-bromophenyl)methyl]-3,5-diethylpyrazol-4-yl]methanol?
The IUPAC name of [1-[(2-bromophenyl)methyl]-3,5-diethylpyrazol-4-yl]methanol (CID 82696869) is [1-[(2-bromophenyl)methyl]-3,5-diethylpyrazol-4-yl]methanol.
What is the SMILES notation for [1-[(2-bromophenyl)methyl]-3,5-diethylpyrazol-4-yl]methanol?
The canonical SMILES for [1-[(2-bromophenyl)methyl]-3,5-diethylpyrazol-4-yl]methanol is CCc1nn(Cc2ccccc2Br)c(CC)c1CO.
What is the InChIKey of [1-[(2-bromophenyl)methyl]-3,5-diethylpyrazol-4-yl]methanol?
The InChIKey is ZVNRXOIHPBGSOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O/c1-3-14-12(10-19)15(4-2)18(17-14)9-11-7-5-6-8-13(11)16/h5-8,19H,3-4,9-10H2,1-2H3.
What are the key properties of [1-[(2-bromophenyl)methyl]-3,5-diethylpyrazol-4-yl]methanol?
[1-[(2-bromophenyl)methyl]-3,5-diethylpyrazol-4-yl]methanol has a molecular weight of 323.23 g/mol, XLogP of 3.31, 5 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-diethylpyrazol-4-yl]methanol is sourced from PubChem (CID 82696869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).