1-(3,5-dimethylpyrazol-1-yl)-3-[3-[3-(3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]phenoxy]propan-2-ol

C22H30N4O4 — CID 3468009

IUPAC1-(3,5-dimethylpyrazol-1-yl)-3-[3-[3-(3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]phenoxy]propan-2-ol
SMILESCc1cc(C)n(CC(O)COc2cccc(OCC(O)Cn3nc(C)cc3C)c2)n1
InChIInChI=1S/C22H30N4O4/c1-15-8-17(3)25(23-15)11-19(27)13-29-21-6-5-7-22(10-21)30-14-20(28)12-26-18(4)9-16(2)24-26/h5-10,19-20,27-28H,11-14H2,1-4H3
InChIKeyYPZRXDNIABVGLV-UHFFFAOYSA-N
MW414.51 g/mol
LogP2.19
Rot. Bonds10

About 1-(3,5-dimethylpyrazol-1-yl)-3-[3-[3-(3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]phenoxy]propan-2-ol

1-(3,5-dimethylpyrazol-1-yl)-3-[3-[3-(3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]phenoxy]propan-2-ol (PubChem CID 3468009) has the molecular formula C22H30N4O4 and a molecular weight of 414.51 g/mol. Its IUPAC name is 1-(3,5-dimethylpyrazol-1-yl)-3-[3-[3-(3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-(3,5-dimethylpyrazol-1-yl)-3-[3-[3-(3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]phenoxy]propan-2-ol
PubChem CID3468009
Molecular FormulaC22H30N4O4
Molecular Weight414.51 g/mol
Exact Mass414.23
IUPAC Name1-(3,5-dimethylpyrazol-1-yl)-3-[3-[3-(3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]phenoxy]propan-2-ol
SMILESCc1cc(C)n(CC(O)COc2cccc(OCC(O)Cn3nc(C)cc3C)c2)n1
InChIInChI=1S/C22H30N4O4/c1-15-8-17(3)25(23-15)11-19(27)13-29-21-6-5-7-22(10-21)30-14-20(28)12-26-18(4)9-16(2)24-26/h5-10,19-20,27-28H,11-14H2,1-4H3
InChIKeyYPZRXDNIABVGLV-UHFFFAOYSA-N
XLogP2.19
TPSA94.56 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-(3,5-dimethylpyrazol-1-yl)-3-[3-[3-(3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]phenoxy]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

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpyrazol-1-yl)-3-[3-[3-(3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]phenoxy]propan-2-ol?
The IUPAC name of 1-(3,5-dimethylpyrazol-1-yl)-3-[3-[3-(3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]phenoxy]propan-2-ol (CID 3468009) is 1-(3,5-dimethylpyrazol-1-yl)-3-[3-[3-(3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]phenoxy]propan-2-ol.
What is the SMILES notation for 1-(3,5-dimethylpyrazol-1-yl)-3-[3-[3-(3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]phenoxy]propan-2-ol?
The canonical SMILES for 1-(3,5-dimethylpyrazol-1-yl)-3-[3-[3-(3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]phenoxy]propan-2-ol is Cc1cc(C)n(CC(O)COc2cccc(OCC(O)Cn3nc(C)cc3C)c2)n1.
What is the InChIKey of 1-(3,5-dimethylpyrazol-1-yl)-3-[3-[3-(3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]phenoxy]propan-2-ol?
The InChIKey is YPZRXDNIABVGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O4/c1-15-8-17(3)25(23-15)11-19(27)13-29-21-6-5-7-22(10-21)30-14-20(28)12-26-18(4)9-16(2)24-26/h5-10,19-20,27-28H,11-14H2,1-4H3.
What are the key properties of 1-(3,5-dimethylpyrazol-1-yl)-3-[3-[3-(3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]phenoxy]propan-2-ol?
1-(3,5-dimethylpyrazol-1-yl)-3-[3-[3-(3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]phenoxy]propan-2-ol has a molecular weight of 414.51 g/mol, XLogP of 2.19, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpyrazol-1-yl)-3-[3-[3-(3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]phenoxy]propan-2-ol is sourced from PubChem (CID 3468009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).