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

C16H21BrN2O2 — CID 82700758

IUPAC[1-[(2-bromo-5-methoxyphenyl)methyl]-3,5-diethylpyrazol-4-yl]methanol
SMILESCCc1nn(Cc2cc(OC)ccc2Br)c(CC)c1CO
InChIInChI=1S/C16H21BrN2O2/c1-4-15-13(10-20)16(5-2)19(18-15)9-11-8-12(21-3)6-7-14(11)17/h6-8,20H,4-5,9-10H2,1-3H3
InChIKeyLIVACKODXGCXRE-UHFFFAOYSA-N
MW353.26 g/mol
LogP3.32
Rot. Bonds6

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

[1-[(2-bromo-5-methoxyphenyl)methyl]-3,5-diethylpyrazol-4-yl]methanol (PubChem CID 82700758) has the molecular formula C16H21BrN2O2 and a molecular weight of 353.26 g/mol. Its IUPAC name is [1-[(2-bromo-5-methoxyphenyl)methyl]-3,5-diethylpyrazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[(2-bromo-5-methoxyphenyl)methyl]-3,5-diethylpyrazol-4-yl]methanol
PubChem CID82700758
Molecular FormulaC16H21BrN2O2
Molecular Weight353.26 g/mol
Exact Mass352.08
IUPAC Name[1-[(2-bromo-5-methoxyphenyl)methyl]-3,5-diethylpyrazol-4-yl]methanol
SMILESCCc1nn(Cc2cc(OC)ccc2Br)c(CC)c1CO
InChIInChI=1S/C16H21BrN2O2/c1-4-15-13(10-20)16(5-2)19(18-15)9-11-8-12(21-3)6-7-14(11)17/h6-8,20H,4-5,9-10H2,1-3H3
InChIKeyLIVACKODXGCXRE-UHFFFAOYSA-N
XLogP3.32
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.26
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[(2-bromophenyl)methyl]-3,5-diethylpyrazol-4-yl]methanol
CID 82696869
1-[(2-bromo-5-methoxyphenyl)methyl]-5-ethyltriazol-4-amine
CID 79542535
[1-[(2-bromo-5-fluorophenyl)methyl]-3,5-diethylpyrazol-4-yl]methanamine
CID 82697692
[1-[(2,4-dichlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]methanol
CID 82697288
[3,5-diethyl-1-[(4-ethylphenyl)methyl]pyrazol-4-yl]methanol
CID 82697742
2-[1-[(2-bromo-5-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]acetic acid
CID 65322784
[1-[2-(3-bromophenoxy)ethyl]-3,5-diethylpyrazol-4-yl]methanol
CID 82700763
1-[1-[(2-bromo-5-fluorophenyl)methyl]-3,5-diethylpyrazol-4-yl]ethanol
CID 82698544
2-(2-bromo-5-methoxyphenyl)ethanol
CID 10489678
1-[(2-bromo-5-methoxyphenyl)methyl]-4-(1-chloropropyl)-3,5-dimethylpyrazole
CID 65326882
1-[1-[(2-bromo-5-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]propan-1-amine
CID 65327317
4-(chloromethyl)-3,5-diethyl-1-[(2-methoxyphenyl)methyl]pyrazole
CID 82700781

Frequently Asked Questions

What is the IUPAC name of [1-[(2-bromo-5-methoxyphenyl)methyl]-3,5-diethylpyrazol-4-yl]methanol?
The IUPAC name of [1-[(2-bromo-5-methoxyphenyl)methyl]-3,5-diethylpyrazol-4-yl]methanol (CID 82700758) is [1-[(2-bromo-5-methoxyphenyl)methyl]-3,5-diethylpyrazol-4-yl]methanol.
What is the SMILES notation for [1-[(2-bromo-5-methoxyphenyl)methyl]-3,5-diethylpyrazol-4-yl]methanol?
The canonical SMILES for [1-[(2-bromo-5-methoxyphenyl)methyl]-3,5-diethylpyrazol-4-yl]methanol is CCc1nn(Cc2cc(OC)ccc2Br)c(CC)c1CO.
What is the InChIKey of [1-[(2-bromo-5-methoxyphenyl)methyl]-3,5-diethylpyrazol-4-yl]methanol?
The InChIKey is LIVACKODXGCXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN2O2/c1-4-15-13(10-20)16(5-2)19(18-15)9-11-8-12(21-3)6-7-14(11)17/h6-8,20H,4-5,9-10H2,1-3H3.
What are the key properties of [1-[(2-bromo-5-methoxyphenyl)methyl]-3,5-diethylpyrazol-4-yl]methanol?
[1-[(2-bromo-5-methoxyphenyl)methyl]-3,5-diethylpyrazol-4-yl]methanol has a molecular weight of 353.26 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-bromo-5-methoxyphenyl)methyl]-3,5-diethylpyrazol-4-yl]methanol is sourced from PubChem (CID 82700758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).