1-amino-3-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-methylpropan-2-ol

C9H16BrN3O — CID 66039829

IUPAC1-amino-3-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-methylpropan-2-ol
SMILESCc1nn(C)c(CC(C)(O)CN)c1Br
InChIInChI=1S/C9H16BrN3O/c1-6-8(10)7(13(3)12-6)4-9(2,14)5-11/h14H,4-5,11H2,1-3H3
InChIKeyBPVLIPJFCNRQHQ-UHFFFAOYSA-N
MW262.15 g/mol
LogP0.74
Rot. Bonds3

About 1-amino-3-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-methylpropan-2-ol

1-amino-3-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-methylpropan-2-ol (PubChem CID 66039829) has the molecular formula C9H16BrN3O and a molecular weight of 262.15 g/mol. Its IUPAC name is 1-amino-3-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-amino-3-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-methylpropan-2-ol
PubChem CID66039829
Molecular FormulaC9H16BrN3O
Molecular Weight262.15 g/mol
Exact Mass261.05
IUPAC Name1-amino-3-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-methylpropan-2-ol
SMILESCc1nn(C)c(CC(C)(O)CN)c1Br
InChIInChI=1S/C9H16BrN3O/c1-6-8(10)7(13(3)12-6)4-9(2,14)5-11/h14H,4-5,11H2,1-3H3
InChIKeyBPVLIPJFCNRQHQ-UHFFFAOYSA-N
XLogP0.74
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.15
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-methylpropan-2-ol?
The IUPAC name of 1-amino-3-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-methylpropan-2-ol (CID 66039829) is 1-amino-3-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-methylpropan-2-ol.
What is the SMILES notation for 1-amino-3-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-methylpropan-2-ol?
The canonical SMILES for 1-amino-3-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-methylpropan-2-ol is Cc1nn(C)c(CC(C)(O)CN)c1Br.
What is the InChIKey of 1-amino-3-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-methylpropan-2-ol?
The InChIKey is BPVLIPJFCNRQHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16BrN3O/c1-6-8(10)7(13(3)12-6)4-9(2,14)5-11/h14H,4-5,11H2,1-3H3.
What are the key properties of 1-amino-3-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-methylpropan-2-ol?
1-amino-3-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-methylpropan-2-ol has a molecular weight of 262.15 g/mol, XLogP of 0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-methylpropan-2-ol is sourced from PubChem (CID 66039829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).