1-(1,5-dimethylpyrazol-4-yl)butan-1-ol

C9H16N2O — CID 79584948

IUPAC1-(1,5-dimethylpyrazol-4-yl)butan-1-ol
SMILESCCCC(O)c1cnn(C)c1C
InChIInChI=1S/C9H16N2O/c1-4-5-9(12)8-6-10-11(3)7(8)2/h6,9,12H,4-5H2,1-3H3
InChIKeyVFXFFWZDHOPLBV-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.56
Rot. Bonds3

About 1-(1,5-dimethylpyrazol-4-yl)butan-1-ol

1-(1,5-dimethylpyrazol-4-yl)butan-1-ol (PubChem CID 79584948) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-(1,5-dimethylpyrazol-4-yl)butan-1-ol.

Molecular Properties

Compound Name1-(1,5-dimethylpyrazol-4-yl)butan-1-ol
PubChem CID79584948
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name1-(1,5-dimethylpyrazol-4-yl)butan-1-ol
SMILESCCCC(O)c1cnn(C)c1C
InChIInChI=1S/C9H16N2O/c1-4-5-9(12)8-6-10-11(3)7(8)2/h6,9,12H,4-5H2,1-3H3
InChIKeyVFXFFWZDHOPLBV-UHFFFAOYSA-N
XLogP1.56
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,5-dimethylpyrazol-4-yl)decan-1-ol
CID 79584764
1-(1,5-dimethylpyrazol-4-yl)tridecan-1-ol
CID 79569749
(1S)-3-amino-1-(1,5-dimethylpyrazol-4-yl)propan-1-ol
CID 96631923
(1S)-2-amino-1-(1,5-dimethylpyrazol-4-yl)ethanol
CID 96635093
1-(5-bromo-1-methylpyrazol-4-yl)butan-1-ol
CID 131107730
3-cyclopropyl-1-(1,5-dimethylpyrazol-4-yl)propan-1-ol
CID 105105760
2-(aminomethyl)-1-(1,5-dimethylpyrazol-4-yl)pentan-1-ol
CID 79595137
1-(1,5-dimethylpyrazol-4-yl)oct-7-en-1-ol
CID 107012235
2-[(1,5-dimethylpyrazol-4-yl)-hydroxymethyl]pentanoic acid
CID 83042350
1-(1,5-dimethylpyrazol-4-yl)-2-(5-ethylthiophen-2-yl)ethanol
CID 79583541
2-cyclobutyl-1-(1,5-dimethylpyrazol-4-yl)ethanol
CID 105100749
1-(1,5-dimethylpyrazol-4-yl)-2-(2,5-dimethylpyrazol-3-yl)ethanol
CID 79584013

Frequently Asked Questions

What is the IUPAC name of 1-(1,5-dimethylpyrazol-4-yl)butan-1-ol?
The IUPAC name of 1-(1,5-dimethylpyrazol-4-yl)butan-1-ol (CID 79584948) is 1-(1,5-dimethylpyrazol-4-yl)butan-1-ol.
What is the SMILES notation for 1-(1,5-dimethylpyrazol-4-yl)butan-1-ol?
The canonical SMILES for 1-(1,5-dimethylpyrazol-4-yl)butan-1-ol is CCCC(O)c1cnn(C)c1C.
What is the InChIKey of 1-(1,5-dimethylpyrazol-4-yl)butan-1-ol?
The InChIKey is VFXFFWZDHOPLBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-4-5-9(12)8-6-10-11(3)7(8)2/h6,9,12H,4-5H2,1-3H3.
What are the key properties of 1-(1,5-dimethylpyrazol-4-yl)butan-1-ol?
1-(1,5-dimethylpyrazol-4-yl)butan-1-ol has a molecular weight of 168.24 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,5-dimethylpyrazol-4-yl)butan-1-ol is sourced from PubChem (CID 79584948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).