1-(1,3-dimethylpyrazol-4-yl)butan-1-ol

C9H16N2O — CID 83090747

IUPAC1-(1,3-dimethylpyrazol-4-yl)butan-1-ol
SMILESCCCC(O)c1cn(C)nc1C
InChIInChI=1S/C9H16N2O/c1-4-5-9(12)8-6-11(3)10-7(8)2/h6,9,12H,4-5H2,1-3H3
InChIKeyGEJRTHMVKNNQAK-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.56
Rot. Bonds3

About 1-(1,3-dimethylpyrazol-4-yl)butan-1-ol

1-(1,3-dimethylpyrazol-4-yl)butan-1-ol (PubChem CID 83090747) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-(1,3-dimethylpyrazol-4-yl)butan-1-ol.

Molecular Properties

Compound Name1-(1,3-dimethylpyrazol-4-yl)butan-1-ol
PubChem CID83090747
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name1-(1,3-dimethylpyrazol-4-yl)butan-1-ol
SMILESCCCC(O)c1cn(C)nc1C
InChIInChI=1S/C9H16N2O/c1-4-5-9(12)8-6-11(3)10-7(8)2/h6,9,12H,4-5H2,1-3H3
InChIKeyGEJRTHMVKNNQAK-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-(1,3-dimethylpyrazol-4-yl)-5-methylhexan-1-ol
CID 83157835
(1R)-2-amino-1-(1,3-dimethylpyrazol-4-yl)ethanol
CID 83000950
1-(1,3-dimethylpyrazol-4-yl)-2-(4-ethylphenyl)ethanol
CID 83091670
(1S)-2-azido-1-(1,3-dimethylpyrazol-4-yl)ethanol
CID 83092774
1-(1,3-dimethylpyrazol-4-yl)-2-(propan-2-ylamino)ethanol
CID 83095157
1-(1,3-dimethylpyrazol-4-yl)pentan-1-amine
CID 102803171
2-cyclobutyl-1-(1,3-dimethylpyrazol-4-yl)ethanol
CID 102804709
1-(1,3-dimethylpyrazol-4-yl)-2-methylpropan-1-ol
CID 83090041
3-(1,3-dimethylpyrazol-4-yl)butan-2-ol
CID 66436534
1-(1,3-dimethylpyrazol-4-yl)-N-ethyl-2-methylpentan-1-amine
CID 107893691
(1S)-1-(1,3-dimethylpyrazol-4-yl)-2,2-difluoroethanol
CID 95567318
(1,3-dimethylpyrazol-4-yl)-(1-propylpyrazol-4-yl)methanol
CID 83091487

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)butan-1-ol?
The IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)butan-1-ol (CID 83090747) is 1-(1,3-dimethylpyrazol-4-yl)butan-1-ol.
What is the SMILES notation for 1-(1,3-dimethylpyrazol-4-yl)butan-1-ol?
The canonical SMILES for 1-(1,3-dimethylpyrazol-4-yl)butan-1-ol is CCCC(O)c1cn(C)nc1C.
What is the InChIKey of 1-(1,3-dimethylpyrazol-4-yl)butan-1-ol?
The InChIKey is GEJRTHMVKNNQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-4-5-9(12)8-6-11(3)10-7(8)2/h6,9,12H,4-5H2,1-3H3.
What are the key properties of 1-(1,3-dimethylpyrazol-4-yl)butan-1-ol?
1-(1,3-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-(1,3-dimethylpyrazol-4-yl)butan-1-ol is sourced from PubChem (CID 83090747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).