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

C16H22N2O2 — CID 22331397

IUPAC1-(3,5-dimethylphenoxy)-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol
SMILESCc1cc(C)cc(OCC(O)Cn2nc(C)cc2C)c1
InChIInChI=1S/C16H22N2O2/c1-11-5-12(2)7-16(6-11)20-10-15(19)9-18-14(4)8-13(3)17-18/h5-8,15,19H,9-10H2,1-4H3
InChIKeyGSBJUGAATPSXFH-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.56
Rot. Bonds5

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

1-(3,5-dimethylphenoxy)-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol (PubChem CID 22331397) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-(3,5-dimethylphenoxy)-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(3,5-dimethylphenoxy)-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol
PubChem CID22331397
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name1-(3,5-dimethylphenoxy)-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol
SMILESCc1cc(C)cc(OCC(O)Cn2nc(C)cc2C)c1
InChIInChI=1S/C16H22N2O2/c1-11-5-12(2)7-16(6-11)20-10-15(19)9-18-14(4)8-13(3)17-18/h5-8,15,19H,9-10H2,1-4H3
InChIKeyGSBJUGAATPSXFH-UHFFFAOYSA-N
XLogP2.56
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3,5-dimethylphenoxy)-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Lersivirine
CID 16739244
1-(3,5-Dimethyl-pyrazol-1-yl)-3-phenoxy-propan-2-ol
CID 3127806
N-{4-[2-hydroxy-3-(3,4,5-trimethyl-1H-pyrazol-1-yl)propoxy]phenyl}acetamide
CID 5298752
3-[3,5-Diethyl-1-(2-hydroxyethyl)pyrazol-4-yl]oxybenzonitrile
CID 9921911
2-[4-(3,5-Dimethylphenoxy)-3,5-diethyl-pyrazol-1-yl]ethanol
CID 9943816
3-[3,5-Diethyl-1-(2-hydroxyethyl)pyrazol-4-yl]oxy-5-methyl-benzonitrile
CID 21949852
3-[3,5-Diethyl-1-(2-hydroxyethyl)pyrazol-4-yl]oxy-5-fluoro-benzonitrile
CID 21949907
1-Benzyloxy-3-(3,5-dimethyl-pyrazol-1-yl)-propan-2-ol
CID 653117
3-(2,6-Dimethylphenoxy)-1-(3,5-dimethylpyrazolyl)propan-2-ol
CID 3133158
1-(3,5-dimethyl-1H-pyrazol-1-yl)-3-(2-methylphenoxy)propan-2-ol
CID 3133155
1-(3,5-dimethyl-1H-pyrazol-1-yl)-3-(p-tolyloxy)propan-2-ol
CID 3144351
1-(4-Tert-butylphenoxy)-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol
CID 18560731

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenoxy)-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol?
The IUPAC name of 1-(3,5-dimethylphenoxy)-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol (CID 22331397) is 1-(3,5-dimethylphenoxy)-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol.
What is the SMILES notation for 1-(3,5-dimethylphenoxy)-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol?
The canonical SMILES for 1-(3,5-dimethylphenoxy)-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol is Cc1cc(C)cc(OCC(O)Cn2nc(C)cc2C)c1.
What is the InChIKey of 1-(3,5-dimethylphenoxy)-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol?
The InChIKey is GSBJUGAATPSXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-11-5-12(2)7-16(6-11)20-10-15(19)9-18-14(4)8-13(3)17-18/h5-8,15,19H,9-10H2,1-4H3.
What are the key properties of 1-(3,5-dimethylphenoxy)-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol?
1-(3,5-dimethylphenoxy)-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol has a molecular weight of 274.36 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenoxy)-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol is sourced from PubChem (CID 22331397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).