1-(4-bromo-1-ethylpyrazol-5-yl)-3-(dimethylamino)propan-1-ol

C10H18BrN3O — CID 114645175

IUPAC1-(4-bromo-1-ethylpyrazol-5-yl)-3-(dimethylamino)propan-1-ol
SMILESCCn1ncc(Br)c1C(O)CCN(C)C
InChIInChI=1S/C10H18BrN3O/c1-4-14-10(8(11)7-12-14)9(15)5-6-13(2)3/h7,9,15H,4-6H2,1-3H3
InChIKeyWXXLYFXHSXWVEG-UHFFFAOYSA-N
MW276.18 g/mol
LogP1.65
Rot. Bonds5

About 1-(4-bromo-1-ethylpyrazol-5-yl)-3-(dimethylamino)propan-1-ol

1-(4-bromo-1-ethylpyrazol-5-yl)-3-(dimethylamino)propan-1-ol (PubChem CID 114645175) has the molecular formula C10H18BrN3O and a molecular weight of 276.18 g/mol. Its IUPAC name is 1-(4-bromo-1-ethylpyrazol-5-yl)-3-(dimethylamino)propan-1-ol.

Molecular Properties

Compound Name1-(4-bromo-1-ethylpyrazol-5-yl)-3-(dimethylamino)propan-1-ol
PubChem CID114645175
Molecular FormulaC10H18BrN3O
Molecular Weight276.18 g/mol
Exact Mass275.06
IUPAC Name1-(4-bromo-1-ethylpyrazol-5-yl)-3-(dimethylamino)propan-1-ol
SMILESCCn1ncc(Br)c1C(O)CCN(C)C
InChIInChI=1S/C10H18BrN3O/c1-4-14-10(8(11)7-12-14)9(15)5-6-13(2)3/h7,9,15H,4-6H2,1-3H3
InChIKeyWXXLYFXHSXWVEG-UHFFFAOYSA-N
XLogP1.65
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.18
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]butan-1-ol
CID 114635495
3-(dimethylamino)-1-(1-ethyl-4-methoxypyrazol-5-yl)propan-1-ol
CID 114645183
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-3-(diethylamino)propan-1-ol
CID 114644599
1-(4-bromo-1-ethylpyrazol-5-yl)-4-methylsulfanylbutan-1-ol
CID 103089761
2-amino-1-(4-bromo-1-ethylpyrazol-5-yl)ethanol
CID 114637716
1-(4-bromo-1-ethylpyrazol-5-yl)-4-phenylbutan-1-ol
CID 67963767
1-(4-bromo-1-ethylpyrazol-5-yl)-2-[(2-methylpropan-2-yl)oxy]ethanol
CID 105127584
1-(4-bromo-1-propylpyrazol-5-yl)pentan-1-ol
CID 114635613
(4-bromo-1-ethylpyrazol-5-yl)-phenylmethanol
CID 114634339
1-(4-bromo-1-propylpyrazol-5-yl)hexan-1-ol
CID 114635714
(4-bromo-1-ethylpyrazol-5-yl)-(2-bromophenyl)methanol
CID 114634896
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-(2-bromophenyl)ethanol
CID 114643468

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-ethylpyrazol-5-yl)-3-(dimethylamino)propan-1-ol?
The IUPAC name of 1-(4-bromo-1-ethylpyrazol-5-yl)-3-(dimethylamino)propan-1-ol (CID 114645175) is 1-(4-bromo-1-ethylpyrazol-5-yl)-3-(dimethylamino)propan-1-ol.
What is the SMILES notation for 1-(4-bromo-1-ethylpyrazol-5-yl)-3-(dimethylamino)propan-1-ol?
The canonical SMILES for 1-(4-bromo-1-ethylpyrazol-5-yl)-3-(dimethylamino)propan-1-ol is CCn1ncc(Br)c1C(O)CCN(C)C.
What is the InChIKey of 1-(4-bromo-1-ethylpyrazol-5-yl)-3-(dimethylamino)propan-1-ol?
The InChIKey is WXXLYFXHSXWVEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrN3O/c1-4-14-10(8(11)7-12-14)9(15)5-6-13(2)3/h7,9,15H,4-6H2,1-3H3.
What are the key properties of 1-(4-bromo-1-ethylpyrazol-5-yl)-3-(dimethylamino)propan-1-ol?
1-(4-bromo-1-ethylpyrazol-5-yl)-3-(dimethylamino)propan-1-ol has a molecular weight of 276.18 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-ethylpyrazol-5-yl)-3-(dimethylamino)propan-1-ol is sourced from PubChem (CID 114645175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).