1-(3,5-dimethylpyrazol-1-yl)-3-phenoxypropan-2-ol

C14H18N2O2 — CID 3127806

IUPAC1-(3,5-dimethylpyrazol-1-yl)-3-phenoxypropan-2-ol
SMILESCc1cc(C)n(CC(O)COc2ccccc2)n1
InChIInChI=1S/C14H18N2O2/c1-11-8-12(2)16(15-11)9-13(17)10-18-14-6-4-3-5-7-14/h3-8,13,17H,9-10H2,1-2H3
InChIKeyUNEAANKOQQNNFV-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.94
Rot. Bonds5

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

1-(3,5-dimethylpyrazol-1-yl)-3-phenoxypropan-2-ol (PubChem CID 3127806) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-(3,5-dimethylpyrazol-1-yl)-3-phenoxypropan-2-ol.

Molecular Properties

Compound Name1-(3,5-dimethylpyrazol-1-yl)-3-phenoxypropan-2-ol
PubChem CID3127806
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name1-(3,5-dimethylpyrazol-1-yl)-3-phenoxypropan-2-ol
SMILESCc1cc(C)n(CC(O)COc2ccccc2)n1
InChIInChI=1S/C14H18N2O2/c1-11-8-12(2)16(15-11)9-13(17)10-18-14-6-4-3-5-7-14/h3-8,13,17H,9-10H2,1-2H3
InChIKeyUNEAANKOQQNNFV-UHFFFAOYSA-N
XLogP1.94
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.94
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-phenoxypropan-2-ol?
The IUPAC name of 1-(3,5-dimethylpyrazol-1-yl)-3-phenoxypropan-2-ol (CID 3127806) is 1-(3,5-dimethylpyrazol-1-yl)-3-phenoxypropan-2-ol.
What is the SMILES notation for 1-(3,5-dimethylpyrazol-1-yl)-3-phenoxypropan-2-ol?
The canonical SMILES for 1-(3,5-dimethylpyrazol-1-yl)-3-phenoxypropan-2-ol is Cc1cc(C)n(CC(O)COc2ccccc2)n1.
What is the InChIKey of 1-(3,5-dimethylpyrazol-1-yl)-3-phenoxypropan-2-ol?
The InChIKey is UNEAANKOQQNNFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-11-8-12(2)16(15-11)9-13(17)10-18-14-6-4-3-5-7-14/h3-8,13,17H,9-10H2,1-2H3.
What are the key properties of 1-(3,5-dimethylpyrazol-1-yl)-3-phenoxypropan-2-ol?
1-(3,5-dimethylpyrazol-1-yl)-3-phenoxypropan-2-ol has a molecular weight of 246.31 g/mol, XLogP of 1.94, 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-phenoxypropan-2-ol is sourced from PubChem (CID 3127806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).