1-(3,5-dimethylpyrazol-1-yl)propan-1-ol

C8H14N2O — CID 10558833

IUPAC1-(3,5-dimethylpyrazol-1-yl)propan-1-ol
SMILESCCC(O)n1nc(C)cc1C
InChIInChI=1S/C8H14N2O/c1-4-8(11)10-7(3)5-6(2)9-10/h5,8,11H,4H2,1-3H3
InChIKeyWQWUWGRGVZDUNS-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.40
Rot. Bonds2

About 1-(3,5-dimethylpyrazol-1-yl)propan-1-ol

1-(3,5-dimethylpyrazol-1-yl)propan-1-ol (PubChem CID 10558833) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 1-(3,5-dimethylpyrazol-1-yl)propan-1-ol.

Molecular Properties

Compound Name1-(3,5-dimethylpyrazol-1-yl)propan-1-ol
PubChem CID10558833
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name1-(3,5-dimethylpyrazol-1-yl)propan-1-ol
SMILESCCC(O)n1nc(C)cc1C
InChIInChI=1S/C8H14N2O/c1-4-8(11)10-7(3)5-6(2)9-10/h5,8,11H,4H2,1-3H3
InChIKeyWQWUWGRGVZDUNS-UHFFFAOYSA-N
XLogP1.40
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-Dimethylpyrazol-1-methanol
CID 96393
(3,5-Dimethyl-1H-pyrazol-1-yl)acetic acid
CID 572875
1-Allyl-3,5-dimethylpyrazole
CID 25930
4-(3,5-dimethyl-1H-pyrazol-1-yl)butanoic acid
CID 3159309
2-(3,5-Dimethyl-1H-pyrazol-1-yl)ethan-1-ol
CID 259665
3-(3,5-Dimethyl-1H-pyrazol-1-yl)propan-1-amine
CID 2056783
3-(3,5-dimethyl-1H-pyrazol-1-yl)propanoic acid
CID 3131824
1,3,5-Trimethylpyrazole
CID 14081
(1,3-dimethyl-1H-pyrazol-5-yl)methanol
CID 2776363
3,5-dimethyl-1-octyl-1H-pyrazole
CID 573081
3-(3,5-Dimethyl-1H-pyrazol-1-yl)-2-methylpropanoic acid
CID 2758649
1-(2-methoxyethyl)-3,5-dimethyl-1H-pyrazole
CID 21014234

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpyrazol-1-yl)propan-1-ol?
The IUPAC name of 1-(3,5-dimethylpyrazol-1-yl)propan-1-ol (CID 10558833) is 1-(3,5-dimethylpyrazol-1-yl)propan-1-ol.
What is the SMILES notation for 1-(3,5-dimethylpyrazol-1-yl)propan-1-ol?
The canonical SMILES for 1-(3,5-dimethylpyrazol-1-yl)propan-1-ol is CCC(O)n1nc(C)cc1C.
What is the InChIKey of 1-(3,5-dimethylpyrazol-1-yl)propan-1-ol?
The InChIKey is WQWUWGRGVZDUNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-4-8(11)10-7(3)5-6(2)9-10/h5,8,11H,4H2,1-3H3.
What are the key properties of 1-(3,5-dimethylpyrazol-1-yl)propan-1-ol?
1-(3,5-dimethylpyrazol-1-yl)propan-1-ol has a molecular weight of 154.21 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpyrazol-1-yl)propan-1-ol is sourced from PubChem (CID 10558833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).