1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-(2-methylpropylamino)ethanol

C13H25BrN4O — CID 114665884

IUPAC1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-(2-methylpropylamino)ethanol
SMILESCC(C)CNCC(O)c1c(Br)cnn1CCN(C)C
InChIInChI=1S/C13H25BrN4O/c1-10(2)7-15-9-12(19)13-11(14)8-16-18(13)6-5-17(3)4/h8,10,12,15,19H,5-7,9H2,1-4H3
InChIKeyJDLZOILMHYSYHC-UHFFFAOYSA-N
MW333.27 g/mol
LogP1.49
Rot. Bonds8

About 1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-(2-methylpropylamino)ethanol

1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-(2-methylpropylamino)ethanol (PubChem CID 114665884) has the molecular formula C13H25BrN4O and a molecular weight of 333.27 g/mol. Its IUPAC name is 1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-(2-methylpropylamino)ethanol.

Molecular Properties

Compound Name1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-(2-methylpropylamino)ethanol
PubChem CID114665884
Molecular FormulaC13H25BrN4O
Molecular Weight333.27 g/mol
Exact Mass332.12
IUPAC Name1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-(2-methylpropylamino)ethanol
SMILESCC(C)CNCC(O)c1c(Br)cnn1CCN(C)C
InChIInChI=1S/C13H25BrN4O/c1-10(2)7-15-9-12(19)13-11(14)8-16-18(13)6-5-17(3)4/h8,10,12,15,19H,5-7,9H2,1-4H3
InChIKeyJDLZOILMHYSYHC-UHFFFAOYSA-N
XLogP1.49
TPSA53.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.27
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]butan-1-ol
CID 114635495
N-[2-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]ethyl]-2-methylpropan-1-amine
CID 114662828
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-3-(diethylamino)propan-1-ol
CID 114644599
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-(4-bromophenyl)ethanol
CID 114642923
3-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 114666885
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-(2-bromophenyl)ethanol
CID 114643468
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2,2,2-trifluoroethanol
CID 114643507
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-N,2-dimethylpropan-1-amine
CID 114647581
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-(propylamino)ethanol
CID 114665822
3-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]butan-1-amine
CID 114666504
[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2-bromophenyl)methanol
CID 114634904
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-(cyclohexen-1-yl)ethanol
CID 114645545

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-(2-methylpropylamino)ethanol?
The IUPAC name of 1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-(2-methylpropylamino)ethanol (CID 114665884) is 1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-(2-methylpropylamino)ethanol.
What is the SMILES notation for 1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-(2-methylpropylamino)ethanol?
The canonical SMILES for 1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-(2-methylpropylamino)ethanol is CC(C)CNCC(O)c1c(Br)cnn1CCN(C)C.
What is the InChIKey of 1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-(2-methylpropylamino)ethanol?
The InChIKey is JDLZOILMHYSYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25BrN4O/c1-10(2)7-15-9-12(19)13-11(14)8-16-18(13)6-5-17(3)4/h8,10,12,15,19H,5-7,9H2,1-4H3.
What are the key properties of 1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-(2-methylpropylamino)ethanol?
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-(2-methylpropylamino)ethanol has a molecular weight of 333.27 g/mol, XLogP of 1.49, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-(2-methylpropylamino)ethanol is sourced from PubChem (CID 114665884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).