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

C15H20N2O2 — CID 3133155

IUPAC1-(3,5-dimethylpyrazol-1-yl)-3-(2-methylphenoxy)propan-2-ol
SMILESCc1cc(C)n(CC(O)COc2ccccc2C)n1
InChIInChI=1S/C15H20N2O2/c1-11-6-4-5-7-15(11)19-10-14(18)9-17-13(3)8-12(2)16-17/h4-8,14,18H,9-10H2,1-3H3
InChIKeyNEXZNPUYUSCPNB-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.25
Rot. Bonds5

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

1-(3,5-dimethylpyrazol-1-yl)-3-(2-methylphenoxy)propan-2-ol (PubChem CID 3133155) 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-(2-methylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(3,5-dimethylpyrazol-1-yl)-3-(2-methylphenoxy)propan-2-ol
PubChem CID3133155
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name1-(3,5-dimethylpyrazol-1-yl)-3-(2-methylphenoxy)propan-2-ol
SMILESCc1cc(C)n(CC(O)COc2ccccc2C)n1
InChIInChI=1S/C15H20N2O2/c1-11-6-4-5-7-15(11)19-10-14(18)9-17-13(3)8-12(2)16-17/h4-8,14,18H,9-10H2,1-3H3
InChIKeyNEXZNPUYUSCPNB-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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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpyrazol-1-yl)-3-(2-methylphenoxy)propan-2-ol?
The IUPAC name of 1-(3,5-dimethylpyrazol-1-yl)-3-(2-methylphenoxy)propan-2-ol (CID 3133155) is 1-(3,5-dimethylpyrazol-1-yl)-3-(2-methylphenoxy)propan-2-ol.
What is the SMILES notation for 1-(3,5-dimethylpyrazol-1-yl)-3-(2-methylphenoxy)propan-2-ol?
The canonical SMILES for 1-(3,5-dimethylpyrazol-1-yl)-3-(2-methylphenoxy)propan-2-ol is Cc1cc(C)n(CC(O)COc2ccccc2C)n1.
What is the InChIKey of 1-(3,5-dimethylpyrazol-1-yl)-3-(2-methylphenoxy)propan-2-ol?
The InChIKey is NEXZNPUYUSCPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-11-6-4-5-7-15(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-(2-methylphenoxy)propan-2-ol?
1-(3,5-dimethylpyrazol-1-yl)-3-(2-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-(2-methylphenoxy)propan-2-ol is sourced from PubChem (CID 3133155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).