3-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl-methylamino]propan-1-ol

C12H22BrN3O — CID 114230746

IUPAC3-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl-methylamino]propan-1-ol
SMILESCCc1nn(CC)c(CN(C)CCCO)c1Br
InChIInChI=1S/C12H22BrN3O/c1-4-10-12(13)11(16(5-2)14-10)9-15(3)7-6-8-17/h17H,4-9H2,1-3H3
InChIKeyHCOZWRWUCMNOMT-UHFFFAOYSA-N
MW304.23 g/mol
LogP2.04
Rot. Bonds7

About 3-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl-methylamino]propan-1-ol

3-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl-methylamino]propan-1-ol (PubChem CID 114230746) has the molecular formula C12H22BrN3O and a molecular weight of 304.23 g/mol. Its IUPAC name is 3-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl-methylamino]propan-1-ol.

Molecular Properties

Compound Name3-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl-methylamino]propan-1-ol
PubChem CID114230746
Molecular FormulaC12H22BrN3O
Molecular Weight304.23 g/mol
Exact Mass303.09
IUPAC Name3-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl-methylamino]propan-1-ol
SMILESCCc1nn(CC)c(CN(C)CCCO)c1Br
InChIInChI=1S/C12H22BrN3O/c1-4-10-12(13)11(16(5-2)14-10)9-15(3)7-6-8-17/h17H,4-9H2,1-3H3
InChIKeyHCOZWRWUCMNOMT-UHFFFAOYSA-N
XLogP2.04
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.23
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 107484847
2-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl-[2-(dimethylamino)ethyl]amino]acetic acid
CID 107425804
N-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-N-methyl-1-methylsulfanylpropan-2-amine
CID 112663836
N-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-N-(3-chloropropyl)cyclobutanamine
CID 102860688
1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-ethylpent-3-en-2-one
CID 103447397
1-[1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]cyclopropyl]ethanone
CID 106797179
4-bromo-5-[3-chloro-2-(chloromethyl)-2-methylpropyl]-1,3-diethylpyrazole
CID 79448216
N'-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine
CID 79667456
3-bromo-N-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-N-methylbutan-1-amine
CID 113499968
1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-methylsulfonylpropan-2-one
CID 112694982
N-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-2-ethoxy-N-methylethanamine
CID 81062245
1-(4-bromo-1,3-diethylpyrazol-5-yl)-2-methylheptan-2-ol
CID 80558058

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl-methylamino]propan-1-ol?
The IUPAC name of 3-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl-methylamino]propan-1-ol (CID 114230746) is 3-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl-methylamino]propan-1-ol.
What is the SMILES notation for 3-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl-methylamino]propan-1-ol?
The canonical SMILES for 3-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl-methylamino]propan-1-ol is CCc1nn(CC)c(CN(C)CCCO)c1Br.
What is the InChIKey of 3-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl-methylamino]propan-1-ol?
The InChIKey is HCOZWRWUCMNOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22BrN3O/c1-4-10-12(13)11(16(5-2)14-10)9-15(3)7-6-8-17/h17H,4-9H2,1-3H3.
What are the key properties of 3-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl-methylamino]propan-1-ol?
3-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl-methylamino]propan-1-ol has a molecular weight of 304.23 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl-methylamino]propan-1-ol is sourced from PubChem (CID 114230746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).