1-(3,5-dimethylpyrazol-1-yl)-3-propan-2-yloxypropan-2-ol

C11H20N2O2 — CID 63988452

IUPAC1-(3,5-dimethylpyrazol-1-yl)-3-propan-2-yloxypropan-2-ol
SMILESCc1cc(C)n(CC(O)COC(C)C)n1
InChIInChI=1S/C11H20N2O2/c1-8(2)15-7-11(14)6-13-10(4)5-9(3)12-13/h5,8,11,14H,6-7H2,1-4H3
InChIKeyIHTHKMMCDPOCMR-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.29
Rot. Bonds5

About 1-(3,5-dimethylpyrazol-1-yl)-3-propan-2-yloxypropan-2-ol

1-(3,5-dimethylpyrazol-1-yl)-3-propan-2-yloxypropan-2-ol (PubChem CID 63988452) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 1-(3,5-dimethylpyrazol-1-yl)-3-propan-2-yloxypropan-2-ol.

Molecular Properties

Compound Name1-(3,5-dimethylpyrazol-1-yl)-3-propan-2-yloxypropan-2-ol
PubChem CID63988452
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name1-(3,5-dimethylpyrazol-1-yl)-3-propan-2-yloxypropan-2-ol
SMILESCc1cc(C)n(CC(O)COC(C)C)n1
InChIInChI=1S/C11H20N2O2/c1-8(2)15-7-11(14)6-13-10(4)5-9(3)12-13/h5,8,11,14H,6-7H2,1-4H3
InChIKeyIHTHKMMCDPOCMR-UHFFFAOYSA-N
XLogP1.29
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-(3,5-dimethylpyrazol-1-yl)-3-[4-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 1099341
(2R)-1-(3,5-dimethylpyrazol-1-yl)-3-[3-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 1203734
(2R)-1-(3,5-dimethylpyrazol-1-yl)-3-(2,4,6-trichlorophenoxy)propan-2-ol
CID 807758
1-(3,5-dimethylpyrazol-1-yl)-3-(4-phenylphenoxy)propan-2-ol
CID 15943427
(2R)-1-(2,3-dihydro-1H-inden-5-yloxy)-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol
CID 1094986
1-[3-(aminomethyl)phenoxy]-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol
CID 43531447
(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropanoic acid
CID 845395
methyl 3-(3,5-dimethylpyrazol-1-yl)-2-methylpropanoate
CID 43538173
2-(2-hydroxy-3-propan-2-yloxypropyl)-6-phenylpyridazin-3-one
CID 110905257
1-(5-methyl-3-propan-2-ylpyrazol-1-yl)butan-2-ol
CID 178165955
1-(3,6-dichlorocarbazol-9-yl)-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol
CID 3101122
3-(3,5-dimethylpyrazol-1-yl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 62447780

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpyrazol-1-yl)-3-propan-2-yloxypropan-2-ol?
The IUPAC name of 1-(3,5-dimethylpyrazol-1-yl)-3-propan-2-yloxypropan-2-ol (CID 63988452) is 1-(3,5-dimethylpyrazol-1-yl)-3-propan-2-yloxypropan-2-ol.
What is the SMILES notation for 1-(3,5-dimethylpyrazol-1-yl)-3-propan-2-yloxypropan-2-ol?
The canonical SMILES for 1-(3,5-dimethylpyrazol-1-yl)-3-propan-2-yloxypropan-2-ol is Cc1cc(C)n(CC(O)COC(C)C)n1.
What is the InChIKey of 1-(3,5-dimethylpyrazol-1-yl)-3-propan-2-yloxypropan-2-ol?
The InChIKey is IHTHKMMCDPOCMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-8(2)15-7-11(14)6-13-10(4)5-9(3)12-13/h5,8,11,14H,6-7H2,1-4H3.
What are the key properties of 1-(3,5-dimethylpyrazol-1-yl)-3-propan-2-yloxypropan-2-ol?
1-(3,5-dimethylpyrazol-1-yl)-3-propan-2-yloxypropan-2-ol has a molecular weight of 212.29 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpyrazol-1-yl)-3-propan-2-yloxypropan-2-ol is sourced from PubChem (CID 63988452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).