1-(5-bromo-1-methylpyrazol-4-yl)butan-1-ol

C8H13BrN2O — CID 131107730

IUPAC1-(5-bromo-1-methylpyrazol-4-yl)butan-1-ol
SMILESCCCC(O)c1cnn(C)c1Br
InChIInChI=1S/C8H13BrN2O/c1-3-4-7(12)6-5-10-11(2)8(6)9/h5,7,12H,3-4H2,1-2H3
InChIKeyPRANHQXCXJTDJW-UHFFFAOYSA-N
MW233.11 g/mol
LogP2.02
Rot. Bonds3

About 1-(5-bromo-1-methylpyrazol-4-yl)butan-1-ol

1-(5-bromo-1-methylpyrazol-4-yl)butan-1-ol (PubChem CID 131107730) has the molecular formula C8H13BrN2O and a molecular weight of 233.11 g/mol. Its IUPAC name is 1-(5-bromo-1-methylpyrazol-4-yl)butan-1-ol.

Molecular Properties

Compound Name1-(5-bromo-1-methylpyrazol-4-yl)butan-1-ol
PubChem CID131107730
Molecular FormulaC8H13BrN2O
Molecular Weight233.11 g/mol
Exact Mass232.02
IUPAC Name1-(5-bromo-1-methylpyrazol-4-yl)butan-1-ol
SMILESCCCC(O)c1cnn(C)c1Br
InChIInChI=1S/C8H13BrN2O/c1-3-4-7(12)6-5-10-11(2)8(6)9/h5,7,12H,3-4H2,1-2H3
InChIKeyPRANHQXCXJTDJW-UHFFFAOYSA-N
XLogP2.02
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.11
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,5-dimethylpyrazol-4-yl)butan-1-ol
CID 79584948
5-bromo-1-methyl-4-propan-2-ylpyrazole
CID 84671203
2-(5-bromo-1-methylpyrazol-4-yl)propan-1-amine
CID 84785906
1-(1,5-dimethylpyrazol-4-yl)decan-1-ol
CID 79584764
1-(1,5-dimethylpyrazol-4-yl)tridecan-1-ol
CID 79569749
4-amino-4-(5-bromo-1-methylpyrazol-4-yl)butanoic acid
CID 84806943
3-(5-bromo-1-methylpyrazol-4-yl)butanoic acid
CID 84803278
2-amino-2-(5-bromo-1-methylpyrazol-4-yl)acetic acid
CID 84796689
(1S)-3-amino-1-(1,5-dimethylpyrazol-4-yl)propan-1-ol
CID 96631923
2-(aminomethyl)-1-(1,5-dimethylpyrazol-4-yl)pentan-1-ol
CID 79595137
1-(1,3-dimethylpyrazol-4-yl)butan-1-ol
CID 83090747
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]butan-1-ol
CID 114635495

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-1-methylpyrazol-4-yl)butan-1-ol?
The IUPAC name of 1-(5-bromo-1-methylpyrazol-4-yl)butan-1-ol (CID 131107730) is 1-(5-bromo-1-methylpyrazol-4-yl)butan-1-ol.
What is the SMILES notation for 1-(5-bromo-1-methylpyrazol-4-yl)butan-1-ol?
The canonical SMILES for 1-(5-bromo-1-methylpyrazol-4-yl)butan-1-ol is CCCC(O)c1cnn(C)c1Br.
What is the InChIKey of 1-(5-bromo-1-methylpyrazol-4-yl)butan-1-ol?
The InChIKey is PRANHQXCXJTDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13BrN2O/c1-3-4-7(12)6-5-10-11(2)8(6)9/h5,7,12H,3-4H2,1-2H3.
What are the key properties of 1-(5-bromo-1-methylpyrazol-4-yl)butan-1-ol?
1-(5-bromo-1-methylpyrazol-4-yl)butan-1-ol has a molecular weight of 233.11 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-1-methylpyrazol-4-yl)butan-1-ol is sourced from PubChem (CID 131107730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).