1-(5-amino-4-bromo-3-methylpyrazol-1-yl)propan-2-ol

C7H12BrN3O — CID 130536458

IUPAC1-(5-amino-4-bromo-3-methylpyrazol-1-yl)propan-2-ol
SMILESCc1nn(CC(C)O)c(N)c1Br
InChIInChI=1S/C7H12BrN3O/c1-4(12)3-11-7(9)6(8)5(2)10-11/h4,12H,3,9H2,1-2H3
InChIKeyCJURAZAXWVVAEO-UHFFFAOYSA-N
MW234.10 g/mol
LogP0.92
Rot. Bonds2

About 1-(5-amino-4-bromo-3-methylpyrazol-1-yl)propan-2-ol

1-(5-amino-4-bromo-3-methylpyrazol-1-yl)propan-2-ol (PubChem CID 130536458) has the molecular formula C7H12BrN3O and a molecular weight of 234.10 g/mol. Its IUPAC name is 1-(5-amino-4-bromo-3-methylpyrazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(5-amino-4-bromo-3-methylpyrazol-1-yl)propan-2-ol
PubChem CID130536458
Molecular FormulaC7H12BrN3O
Molecular Weight234.10 g/mol
Exact Mass233.02
IUPAC Name1-(5-amino-4-bromo-3-methylpyrazol-1-yl)propan-2-ol
SMILESCc1nn(CC(C)O)c(N)c1Br
InChIInChI=1S/C7H12BrN3O/c1-4(12)3-11-7(9)6(8)5(2)10-11/h4,12H,3,9H2,1-2H3
InChIKeyCJURAZAXWVVAEO-UHFFFAOYSA-N
XLogP0.92
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.10
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-3-methyl-1-[(3-propan-2-ylimidazol-4-yl)methyl]pyrazol-5-amine
CID 66164781
4-bromo-1-(2-methoxy-2-methylpropyl)-3-methylpyrazol-5-amine
CID 130663285
4-bromo-1-(cyclopentylmethyl)-3-methylpyrazol-5-amine
CID 62071409
1-(3,5-dimethyl-4-nitropyrazol-1-yl)propan-2-ol
CID 60878381
(2S)-3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N,2-dimethylpropanamide
CID 39854755
4-bromo-3-methyl-1-(quinolin-4-ylmethyl)pyrazol-5-amine
CID 63867039
1-(3-amino-4-bromopyrazol-1-yl)propan-2-ol
CID 65277437
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-(propan-2-ylamino)propanoic acid
CID 55038757
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyethyl)-2-methylpropanamide
CID 19564273
4-bromo-3-methyl-1-(oxan-3-ylmethyl)pyrazol-5-amine
CID 63741638
2-acetamido-3-(4-bromo-3,5-dimethylpyrazol-1-yl)propanoic acid
CID 64581304
1-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-(tert-butylamino)propan-2-ol
CID 115475694

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-4-bromo-3-methylpyrazol-1-yl)propan-2-ol?
The IUPAC name of 1-(5-amino-4-bromo-3-methylpyrazol-1-yl)propan-2-ol (CID 130536458) is 1-(5-amino-4-bromo-3-methylpyrazol-1-yl)propan-2-ol.
What is the SMILES notation for 1-(5-amino-4-bromo-3-methylpyrazol-1-yl)propan-2-ol?
The canonical SMILES for 1-(5-amino-4-bromo-3-methylpyrazol-1-yl)propan-2-ol is Cc1nn(CC(C)O)c(N)c1Br.
What is the InChIKey of 1-(5-amino-4-bromo-3-methylpyrazol-1-yl)propan-2-ol?
The InChIKey is CJURAZAXWVVAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12BrN3O/c1-4(12)3-11-7(9)6(8)5(2)10-11/h4,12H,3,9H2,1-2H3.
What are the key properties of 1-(5-amino-4-bromo-3-methylpyrazol-1-yl)propan-2-ol?
1-(5-amino-4-bromo-3-methylpyrazol-1-yl)propan-2-ol has a molecular weight of 234.10 g/mol, XLogP of 0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-4-bromo-3-methylpyrazol-1-yl)propan-2-ol is sourced from PubChem (CID 130536458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).