1-(4-bromo-1,3-diethylpyrazol-5-yl)-2-methylheptan-2-ol

C15H27BrN2O — CID 80558058

IUPAC1-(4-bromo-1,3-diethylpyrazol-5-yl)-2-methylheptan-2-ol
SMILESCCCCCC(C)(O)Cc1c(Br)c(CC)nn1CC
InChIInChI=1S/C15H27BrN2O/c1-5-8-9-10-15(4,19)11-13-14(16)12(6-2)17-18(13)7-3/h19H,5-11H2,1-4H3
InChIKeyFNJNCNLXHYMQRG-UHFFFAOYSA-N
MW331.30 g/mol
LogP4.10
Rot. Bonds8

About 1-(4-bromo-1,3-diethylpyrazol-5-yl)-2-methylheptan-2-ol

1-(4-bromo-1,3-diethylpyrazol-5-yl)-2-methylheptan-2-ol (PubChem CID 80558058) has the molecular formula C15H27BrN2O and a molecular weight of 331.30 g/mol. Its IUPAC name is 1-(4-bromo-1,3-diethylpyrazol-5-yl)-2-methylheptan-2-ol.

Molecular Properties

Compound Name1-(4-bromo-1,3-diethylpyrazol-5-yl)-2-methylheptan-2-ol
PubChem CID80558058
Molecular FormulaC15H27BrN2O
Molecular Weight331.30 g/mol
Exact Mass330.13
IUPAC Name1-(4-bromo-1,3-diethylpyrazol-5-yl)-2-methylheptan-2-ol
SMILESCCCCCC(C)(O)Cc1c(Br)c(CC)nn1CC
InChIInChI=1S/C15H27BrN2O/c1-5-8-9-10-15(4,19)11-13-14(16)12(6-2)17-18(13)7-3/h19H,5-11H2,1-4H3
InChIKeyFNJNCNLXHYMQRG-UHFFFAOYSA-N
XLogP4.10
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.30
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-bromo-1,3-diethylpyrazol-5-yl)-2-methyl-3-(propylamino)propan-2-ol
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CID 79448216
3-[(4-bromo-1,3-diethylpyrazol-5-yl)methylamino]-2-methylpropane-1,2-diol
CID 66186937
1-(4-bromo-1,3-diethylpyrazol-5-yl)-2-(furan-3-yl)propan-2-ol
CID 115467182
1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-2-methylhex-5-en-2-ol
CID 113437939
1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-methoxy-4,4-dimethylpentan-2-ol
CID 116713159
1-(4-bromo-1,3-diethylpyrazol-5-yl)-N-methyloctan-2-amine
CID 105002309
1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-ethylpent-3-en-2-one
CID 103447397
1-(4-bromo-1,3-diethylpyrazol-5-yl)-N-ethyloctan-2-amine
CID 105002335
1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-methoxy-3-methylbutan-2-one
CID 79197154
N-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-1-chloro-3-methylpentan-3-amine
CID 114152909
1-(4-bromo-1,3-diethylpyrazol-5-yl)-4-ethylhexane-2,3-diol
CID 103459826

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1,3-diethylpyrazol-5-yl)-2-methylheptan-2-ol?
The IUPAC name of 1-(4-bromo-1,3-diethylpyrazol-5-yl)-2-methylheptan-2-ol (CID 80558058) is 1-(4-bromo-1,3-diethylpyrazol-5-yl)-2-methylheptan-2-ol.
What is the SMILES notation for 1-(4-bromo-1,3-diethylpyrazol-5-yl)-2-methylheptan-2-ol?
The canonical SMILES for 1-(4-bromo-1,3-diethylpyrazol-5-yl)-2-methylheptan-2-ol is CCCCCC(C)(O)Cc1c(Br)c(CC)nn1CC.
What is the InChIKey of 1-(4-bromo-1,3-diethylpyrazol-5-yl)-2-methylheptan-2-ol?
The InChIKey is FNJNCNLXHYMQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27BrN2O/c1-5-8-9-10-15(4,19)11-13-14(16)12(6-2)17-18(13)7-3/h19H,5-11H2,1-4H3.
What are the key properties of 1-(4-bromo-1,3-diethylpyrazol-5-yl)-2-methylheptan-2-ol?
1-(4-bromo-1,3-diethylpyrazol-5-yl)-2-methylheptan-2-ol has a molecular weight of 331.30 g/mol, XLogP of 4.10, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1,3-diethylpyrazol-5-yl)-2-methylheptan-2-ol is sourced from PubChem (CID 80558058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).