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

C15H20N2O3 — CID 2884455

IUPAC1-(3,5-dimethylpyrazol-1-yl)-3-(4-methoxyphenoxy)propan-2-ol
SMILESCOc1ccc(OCC(O)Cn2nc(C)cc2C)cc1
InChIInChI=1S/C15H20N2O3/c1-11-8-12(2)17(16-11)9-13(18)10-20-15-6-4-14(19-3)5-7-15/h4-8,13,18H,9-10H2,1-3H3
InChIKeyYHDBGGUPNKTMCZ-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.95
Rot. Bonds6

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

1-(3,5-dimethylpyrazol-1-yl)-3-(4-methoxyphenoxy)propan-2-ol (PubChem CID 2884455) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-(3,5-dimethylpyrazol-1-yl)-3-(4-methoxyphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(3,5-dimethylpyrazol-1-yl)-3-(4-methoxyphenoxy)propan-2-ol
PubChem CID2884455
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name1-(3,5-dimethylpyrazol-1-yl)-3-(4-methoxyphenoxy)propan-2-ol
SMILESCOc1ccc(OCC(O)Cn2nc(C)cc2C)cc1
InChIInChI=1S/C15H20N2O3/c1-11-8-12(2)17(16-11)9-13(18)10-20-15-6-4-14(19-3)5-7-15/h4-8,13,18H,9-10H2,1-3H3
InChIKeyYHDBGGUPNKTMCZ-UHFFFAOYSA-N
XLogP1.95
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,5-Dimethyl-pyrazol-1-yl)-3-phenoxy-propan-2-ol
CID 3127806
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
2-(1-Ethyl-3,5-dimethyl-1H-pyrazol-4-yloxy)-phenol
CID 651391
2-[4-(2,6-Difluorophenoxy)-3,5-diethyl-pyrazol-1-yl]ethanol
CID 9900810
2-[4-(2,5-Difluorophenoxy)-3,5-diethyl-pyrazol-1-yl]ethanol
CID 9922209
2-[4-(3,5-Difluorophenoxy)-3,5-diethyl-pyrazol-1-yl]ethanol
CID 9922210
1-(2,4-Dichloro-phenoxy)-3-(3,5-dimethyl-pyrazol-1-yl)-propan-2-ol
CID 3152400
1-(3,5-dimethyl-1H-pyrazol-1-yl)-3-(2-nitrophenoxy)-2-propanol
CID 2884829
3-(2,6-Dimethylphenoxy)-1-(3,5-dimethylpyrazolyl)propan-2-ol
CID 3133158
3,3'-[1,3-phenylenebis(oxy)]bis[1-(3,5-dimethyl-1H-pyrazol-1-yl)-2-propanol]
CID 3468009

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpyrazol-1-yl)-3-(4-methoxyphenoxy)propan-2-ol?
The IUPAC name of 1-(3,5-dimethylpyrazol-1-yl)-3-(4-methoxyphenoxy)propan-2-ol (CID 2884455) is 1-(3,5-dimethylpyrazol-1-yl)-3-(4-methoxyphenoxy)propan-2-ol.
What is the SMILES notation for 1-(3,5-dimethylpyrazol-1-yl)-3-(4-methoxyphenoxy)propan-2-ol?
The canonical SMILES for 1-(3,5-dimethylpyrazol-1-yl)-3-(4-methoxyphenoxy)propan-2-ol is COc1ccc(OCC(O)Cn2nc(C)cc2C)cc1.
What is the InChIKey of 1-(3,5-dimethylpyrazol-1-yl)-3-(4-methoxyphenoxy)propan-2-ol?
The InChIKey is YHDBGGUPNKTMCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-11-8-12(2)17(16-11)9-13(18)10-20-15-6-4-14(19-3)5-7-15/h4-8,13,18H,9-10H2,1-3H3.
What are the key properties of 1-(3,5-dimethylpyrazol-1-yl)-3-(4-methoxyphenoxy)propan-2-ol?
1-(3,5-dimethylpyrazol-1-yl)-3-(4-methoxyphenoxy)propan-2-ol has a molecular weight of 276.34 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpyrazol-1-yl)-3-(4-methoxyphenoxy)propan-2-ol is sourced from PubChem (CID 2884455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).