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

C6H10BrN3O — CID 65277437

IUPAC1-(3-amino-4-bromopyrazol-1-yl)propan-2-ol
SMILESCC(O)Cn1cc(Br)c(N)n1
InChIInChI=1S/C6H10BrN3O/c1-4(11)2-10-3-5(7)6(8)9-10/h3-4,11H,2H2,1H3,(H2,8,9)
InChIKeyZPXIPBIZJFMENG-UHFFFAOYSA-N
MW220.07 g/mol
LogP0.61
Rot. Bonds2

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

1-(3-amino-4-bromopyrazol-1-yl)propan-2-ol (PubChem CID 65277437) has the molecular formula C6H10BrN3O and a molecular weight of 220.07 g/mol. Its IUPAC name is 1-(3-amino-4-bromopyrazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(3-amino-4-bromopyrazol-1-yl)propan-2-ol
PubChem CID65277437
Molecular FormulaC6H10BrN3O
Molecular Weight220.07 g/mol
Exact Mass219.00
IUPAC Name1-(3-amino-4-bromopyrazol-1-yl)propan-2-ol
SMILESCC(O)Cn1cc(Br)c(N)n1
InChIInChI=1S/C6H10BrN3O/c1-4(11)2-10-3-5(7)6(8)9-10/h3-4,11H,2H2,1H3,(H2,8,9)
InChIKeyZPXIPBIZJFMENG-UHFFFAOYSA-N
XLogP0.61
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.07
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-bromopyrazol-1-yl)propan-2-ol?
The IUPAC name of 1-(3-amino-4-bromopyrazol-1-yl)propan-2-ol (CID 65277437) is 1-(3-amino-4-bromopyrazol-1-yl)propan-2-ol.
What is the SMILES notation for 1-(3-amino-4-bromopyrazol-1-yl)propan-2-ol?
The canonical SMILES for 1-(3-amino-4-bromopyrazol-1-yl)propan-2-ol is CC(O)Cn1cc(Br)c(N)n1.
What is the InChIKey of 1-(3-amino-4-bromopyrazol-1-yl)propan-2-ol?
The InChIKey is ZPXIPBIZJFMENG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10BrN3O/c1-4(11)2-10-3-5(7)6(8)9-10/h3-4,11H,2H2,1H3,(H2,8,9).
What are the key properties of 1-(3-amino-4-bromopyrazol-1-yl)propan-2-ol?
1-(3-amino-4-bromopyrazol-1-yl)propan-2-ol has a molecular weight of 220.07 g/mol, XLogP of 0.61, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4-bromopyrazol-1-yl)propan-2-ol is sourced from PubChem (CID 65277437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).