1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-(dimethylamino)propan-2-ol

C10H18BrN3O — CID 79088051

IUPAC1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-(dimethylamino)propan-2-ol
SMILESCc1nn(C)c(CC(O)CN(C)C)c1Br
InChIInChI=1S/C10H18BrN3O/c1-7-10(11)9(14(4)12-7)5-8(15)6-13(2)3/h8,15H,5-6H2,1-4H3
InChIKeyPVVOYFFBIBBLNF-UHFFFAOYSA-N
MW276.18 g/mol
LogP0.96
Rot. Bonds4

About 1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-(dimethylamino)propan-2-ol

1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-(dimethylamino)propan-2-ol (PubChem CID 79088051) has the molecular formula C10H18BrN3O and a molecular weight of 276.18 g/mol. Its IUPAC name is 1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-(dimethylamino)propan-2-ol.

Molecular Properties

Compound Name1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-(dimethylamino)propan-2-ol
PubChem CID79088051
Molecular FormulaC10H18BrN3O
Molecular Weight276.18 g/mol
Exact Mass275.06
IUPAC Name1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-(dimethylamino)propan-2-ol
SMILESCc1nn(C)c(CC(O)CN(C)C)c1Br
InChIInChI=1S/C10H18BrN3O/c1-7-10(11)9(14(4)12-7)5-8(15)6-13(2)3/h8,15H,5-6H2,1-4H3
InChIKeyPVVOYFFBIBBLNF-UHFFFAOYSA-N
XLogP0.96
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.18
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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1-(4-bromo-1,3-dimethylpyrazol-5-yl)-4-(2-methylphenyl)butan-2-ol
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1-(4-bromo-1,3-dimethylpyrazol-5-yl)-4,4-dimethylpentane-2,3-diol
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1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-(oxolan-3-yl)propan-2-ol
CID 113362040
1-[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-hydroxyethyl]cyclopentan-1-ol
CID 103448231
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-cyclooctylethanol
CID 80603146
1-(4-bromo-1,3-dimethylpyrazol-5-yl)-4-(oxan-2-yl)butan-2-ol
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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-(dimethylamino)propan-2-ol?
The IUPAC name of 1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-(dimethylamino)propan-2-ol (CID 79088051) is 1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-(dimethylamino)propan-2-ol.
What is the SMILES notation for 1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-(dimethylamino)propan-2-ol?
The canonical SMILES for 1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-(dimethylamino)propan-2-ol is Cc1nn(C)c(CC(O)CN(C)C)c1Br.
What is the InChIKey of 1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-(dimethylamino)propan-2-ol?
The InChIKey is PVVOYFFBIBBLNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrN3O/c1-7-10(11)9(14(4)12-7)5-8(15)6-13(2)3/h8,15H,5-6H2,1-4H3.
What are the key properties of 1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-(dimethylamino)propan-2-ol?
1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-(dimethylamino)propan-2-ol has a molecular weight of 276.18 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-(dimethylamino)propan-2-ol is sourced from PubChem (CID 79088051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).