1-(3,5-dimethylpyrazol-1-yl)-3-(4-methylphenoxy)propan-2-ol

C15H20N2O2 — CID 3144351

IUPAC1-(3,5-dimethylpyrazol-1-yl)-3-(4-methylphenoxy)propan-2-ol
SMILESCc1ccc(OCC(O)Cn2nc(C)cc2C)cc1
InChIInChI=1S/C15H20N2O2/c1-11-4-6-15(7-5-11)19-10-14(18)9-17-13(3)8-12(2)16-17/h4-8,14,18H,9-10H2,1-3H3
InChIKeyJABFIVQJEYQBPC-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.25
Rot. Bonds5

About 1-(3,5-dimethylpyrazol-1-yl)-3-(4-methylphenoxy)propan-2-ol

1-(3,5-dimethylpyrazol-1-yl)-3-(4-methylphenoxy)propan-2-ol (PubChem CID 3144351) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-(3,5-dimethylpyrazol-1-yl)-3-(4-methylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(3,5-dimethylpyrazol-1-yl)-3-(4-methylphenoxy)propan-2-ol
PubChem CID3144351
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name1-(3,5-dimethylpyrazol-1-yl)-3-(4-methylphenoxy)propan-2-ol
SMILESCc1ccc(OCC(O)Cn2nc(C)cc2C)cc1
InChIInChI=1S/C15H20N2O2/c1-11-4-6-15(7-5-11)19-10-14(18)9-17-13(3)8-12(2)16-17/h4-8,14,18H,9-10H2,1-3H3
InChIKeyJABFIVQJEYQBPC-UHFFFAOYSA-N
XLogP2.25
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,5-Dimethyl-pyrazol-1-yl)-3-phenoxy-propan-2-ol
CID 3127806
2-Propanol, 3-(tert-butylamino)-1-(6-(1-(1H-pyrazol-1-yl)vinyl)phenoxy)-
CID 3069766
1-(3,5-Dimethylpyrazolyl)-3-(2-bromophenoxy)propan-2-ol
CID 3844024
N-{4-[2-hydroxy-3-(3,4,5-trimethyl-1H-pyrazol-1-yl)propoxy]phenyl}acetamide
CID 5298752
1-(3,5-dimethylphenoxy)-3-(3,5-dimethyl-1H-pyrazol-1-yl)propan-2-ol
CID 22331397
(2S,3R,4S,5S,6R)-2-[1-ethyl-5-methyl-4-[(4-propan-2-yloxyphenyl)methyl]pyrazol-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 9824332
3-(beta-D-glucopyranosyloxy)-4-[(4-isopropoxyphenyl)methyl]-5-methyl-1-propylpyrazole
CID 9846587
3-[3,5-Diethyl-1-(2-hydroxyethyl)pyrazol-4-yl]oxybenzonitrile
CID 9921911
2-[4-(2,5-Difluorophenoxy)-3,5-diethyl-pyrazol-1-yl]ethanol
CID 9922209
2-[4-(3,5-Dimethylphenoxy)-3,5-diethyl-pyrazol-1-yl]ethanol
CID 9943816
1-(4-Chlorophenoxy)-3-[[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl-methylamino]propan-2-ol
CID 46927888
1-Benzyloxy-3-(3,5-dimethyl-pyrazol-1-yl)-propan-2-ol
CID 653117

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpyrazol-1-yl)-3-(4-methylphenoxy)propan-2-ol?
The IUPAC name of 1-(3,5-dimethylpyrazol-1-yl)-3-(4-methylphenoxy)propan-2-ol (CID 3144351) is 1-(3,5-dimethylpyrazol-1-yl)-3-(4-methylphenoxy)propan-2-ol.
What is the SMILES notation for 1-(3,5-dimethylpyrazol-1-yl)-3-(4-methylphenoxy)propan-2-ol?
The canonical SMILES for 1-(3,5-dimethylpyrazol-1-yl)-3-(4-methylphenoxy)propan-2-ol is Cc1ccc(OCC(O)Cn2nc(C)cc2C)cc1.
What is the InChIKey of 1-(3,5-dimethylpyrazol-1-yl)-3-(4-methylphenoxy)propan-2-ol?
The InChIKey is JABFIVQJEYQBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-11-4-6-15(7-5-11)19-10-14(18)9-17-13(3)8-12(2)16-17/h4-8,14,18H,9-10H2,1-3H3.
What are the key properties of 1-(3,5-dimethylpyrazol-1-yl)-3-(4-methylphenoxy)propan-2-ol?
1-(3,5-dimethylpyrazol-1-yl)-3-(4-methylphenoxy)propan-2-ol has a molecular weight of 260.34 g/mol, XLogP of 2.25, 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-(4-methylphenoxy)propan-2-ol is sourced from PubChem (CID 3144351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).