1-(4-bromo-1,3-diethylpyrazol-5-yl)-2-methyl-3-(propylamino)propan-2-ol

C14H26BrN3O — CID 66037713

IUPAC1-(4-bromo-1,3-diethylpyrazol-5-yl)-2-methyl-3-(propylamino)propan-2-ol
SMILESCCCNCC(C)(O)Cc1c(Br)c(CC)nn1CC
InChIInChI=1S/C14H26BrN3O/c1-5-8-16-10-14(4,19)9-12-13(15)11(6-2)17-18(12)7-3/h16,19H,5-10H2,1-4H3
InChIKeyDWEXQPZSEQMTCY-UHFFFAOYSA-N
MW332.29 g/mol
LogP2.52
Rot. Bonds8

About 1-(4-bromo-1,3-diethylpyrazol-5-yl)-2-methyl-3-(propylamino)propan-2-ol

1-(4-bromo-1,3-diethylpyrazol-5-yl)-2-methyl-3-(propylamino)propan-2-ol (PubChem CID 66037713) has the molecular formula C14H26BrN3O and a molecular weight of 332.29 g/mol. Its IUPAC name is 1-(4-bromo-1,3-diethylpyrazol-5-yl)-2-methyl-3-(propylamino)propan-2-ol.

Molecular Properties

Compound Name1-(4-bromo-1,3-diethylpyrazol-5-yl)-2-methyl-3-(propylamino)propan-2-ol
PubChem CID66037713
Molecular FormulaC14H26BrN3O
Molecular Weight332.29 g/mol
Exact Mass331.13
IUPAC Name1-(4-bromo-1,3-diethylpyrazol-5-yl)-2-methyl-3-(propylamino)propan-2-ol
SMILESCCCNCC(C)(O)Cc1c(Br)c(CC)nn1CC
InChIInChI=1S/C14H26BrN3O/c1-5-8-16-10-14(4,19)9-12-13(15)11(6-2)17-18(12)7-3/h16,19H,5-10H2,1-4H3
InChIKeyDWEXQPZSEQMTCY-UHFFFAOYSA-N
XLogP2.52
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.29
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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-methylheptan-2-ol
CID 80558058
1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-(2-methoxyethylamino)-2-methylpropan-2-ol
CID 66038256
1-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-methyl-3-(propylamino)propan-2-ol
CID 66040330
4-bromo-5-[3-chloro-2-(chloromethyl)-2-methylpropyl]-1,3-diethylpyrazole
CID 79448216
1-(4-bromo-1,3-diethylpyrazol-5-yl)-2-(furan-3-yl)propan-2-ol
CID 115467182
N-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-2,3,3-trimethylbutan-1-amine
CID 83142524
3-[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]-2-methylpropane-1,2-diol
CID 66186716
1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-methoxy-4,4-dimethylpentan-2-ol
CID 116713159
2-(4-bromo-1-ethylpyrazol-5-yl)-1-(propylamino)propan-2-ol
CID 114666064
3-(4-bromo-1,3-diethylpyrazol-5-yl)-1,1-dimethoxy-N-propylpropan-2-amine
CID 79488993
N-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-1-(3-methylcyclopentyl)methanamine
CID 107412567

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1,3-diethylpyrazol-5-yl)-2-methyl-3-(propylamino)propan-2-ol?
The IUPAC name of 1-(4-bromo-1,3-diethylpyrazol-5-yl)-2-methyl-3-(propylamino)propan-2-ol (CID 66037713) is 1-(4-bromo-1,3-diethylpyrazol-5-yl)-2-methyl-3-(propylamino)propan-2-ol.
What is the SMILES notation for 1-(4-bromo-1,3-diethylpyrazol-5-yl)-2-methyl-3-(propylamino)propan-2-ol?
The canonical SMILES for 1-(4-bromo-1,3-diethylpyrazol-5-yl)-2-methyl-3-(propylamino)propan-2-ol is CCCNCC(C)(O)Cc1c(Br)c(CC)nn1CC.
What is the InChIKey of 1-(4-bromo-1,3-diethylpyrazol-5-yl)-2-methyl-3-(propylamino)propan-2-ol?
The InChIKey is DWEXQPZSEQMTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26BrN3O/c1-5-8-16-10-14(4,19)9-12-13(15)11(6-2)17-18(12)7-3/h16,19H,5-10H2,1-4H3.
What are the key properties of 1-(4-bromo-1,3-diethylpyrazol-5-yl)-2-methyl-3-(propylamino)propan-2-ol?
1-(4-bromo-1,3-diethylpyrazol-5-yl)-2-methyl-3-(propylamino)propan-2-ol has a molecular weight of 332.29 g/mol, XLogP of 2.52, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1,3-diethylpyrazol-5-yl)-2-methyl-3-(propylamino)propan-2-ol is sourced from PubChem (CID 66037713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).