1-(4-bromopyrazol-1-yl)-3-(ethylamino)propan-2-ol

C8H14BrN3O — CID 61036530

IUPAC1-(4-bromopyrazol-1-yl)-3-(ethylamino)propan-2-ol
SMILESCCNCC(O)Cn1cc(Br)cn1
InChIInChI=1S/C8H14BrN3O/c1-2-10-4-8(13)6-12-5-7(9)3-11-12/h3,5,8,10,13H,2,4,6H2,1H3
InChIKeySOJAYMMRKBKMNU-UHFFFAOYSA-N
MW248.12 g/mol
LogP0.62
Rot. Bonds5

About 1-(4-bromopyrazol-1-yl)-3-(ethylamino)propan-2-ol

1-(4-bromopyrazol-1-yl)-3-(ethylamino)propan-2-ol (PubChem CID 61036530) has the molecular formula C8H14BrN3O and a molecular weight of 248.12 g/mol. Its IUPAC name is 1-(4-bromopyrazol-1-yl)-3-(ethylamino)propan-2-ol.

Molecular Properties

Compound Name1-(4-bromopyrazol-1-yl)-3-(ethylamino)propan-2-ol
PubChem CID61036530
Molecular FormulaC8H14BrN3O
Molecular Weight248.12 g/mol
Exact Mass247.03
IUPAC Name1-(4-bromopyrazol-1-yl)-3-(ethylamino)propan-2-ol
SMILESCCNCC(O)Cn1cc(Br)cn1
InChIInChI=1S/C8H14BrN3O/c1-2-10-4-8(13)6-12-5-7(9)3-11-12/h3,5,8,10,13H,2,4,6H2,1H3
InChIKeySOJAYMMRKBKMNU-UHFFFAOYSA-N
XLogP0.62
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.12
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-Bromo-1H-pyrazol-1-yl)ethanol
CID 16640642
4-Bromo-1-(2-methoxyethyl)-1H-pyrazole
CID 23247855
1-(4-bromo-1H-pyrazol-1-yl)-2-methylpropan-2-ol
CID 61035424
1-amino-3-(1H-pyrazol-1-yl)propan-2-ol
CID 16782636
6-Bromo-2,3-dihydro-1H-4lambda(5)-pyrazolo(1,2-a)pyrazol-2-ol
CID 418579
2-{[(1-Methyl-1H-pyrazol-4-YL)methyl]-amino}ethanol dihydrochloride
CID 46737003
1-(4-Bromo-1H-pyrazol-1-yl)propan-2-ol
CID 61035288
3-(4-bromo-1H-pyrazol-1-yl)-1,1,1-trifluoropropan-2-ol
CID 63901869
1-amino-3-(4-bromo-1H-pyrazol-1-yl)-2-methylpropan-2-ol
CID 64821638
2-[2-(4-Bromopyrazol-1-yl)ethylamino]-2-ethylbutan-1-ol
CID 71999711
1-[2-(4-Bromopyrazol-1-yl)ethyl-methylamino]-3-methoxypropan-2-ol
CID 71999727
2-(4-(Aminomethyl)-1H-pyrazol-1-YL)ethanol
CID 24708562

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromopyrazol-1-yl)-3-(ethylamino)propan-2-ol?
The IUPAC name of 1-(4-bromopyrazol-1-yl)-3-(ethylamino)propan-2-ol (CID 61036530) is 1-(4-bromopyrazol-1-yl)-3-(ethylamino)propan-2-ol.
What is the SMILES notation for 1-(4-bromopyrazol-1-yl)-3-(ethylamino)propan-2-ol?
The canonical SMILES for 1-(4-bromopyrazol-1-yl)-3-(ethylamino)propan-2-ol is CCNCC(O)Cn1cc(Br)cn1.
What is the InChIKey of 1-(4-bromopyrazol-1-yl)-3-(ethylamino)propan-2-ol?
The InChIKey is SOJAYMMRKBKMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14BrN3O/c1-2-10-4-8(13)6-12-5-7(9)3-11-12/h3,5,8,10,13H,2,4,6H2,1H3.
What are the key properties of 1-(4-bromopyrazol-1-yl)-3-(ethylamino)propan-2-ol?
1-(4-bromopyrazol-1-yl)-3-(ethylamino)propan-2-ol has a molecular weight of 248.12 g/mol, XLogP of 0.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromopyrazol-1-yl)-3-(ethylamino)propan-2-ol is sourced from PubChem (CID 61036530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).