[5-[3-[di(propan-2-yl)amino]-2-hydroxypropoxy]-3-methyl-1-phenylpyrazol-4-yl]-phenylmethanone

C26H33N3O3 — CID 10526890

IUPAC[5-[3-[di(propan-2-yl)amino]-2-hydroxypropoxy]-3-methyl-1-phenylpyrazol-4-yl]-phenylmethanone
SMILESCc1nn(-c2ccccc2)c(OCC(O)CN(C(C)C)C(C)C)c1C(=O)c1ccccc1
InChIInChI=1S/C26H33N3O3/c1-18(2)28(19(3)4)16-23(30)17-32-26-24(25(31)21-12-8-6-9-13-21)20(5)27-29(26)22-14-10-7-11-15-22/h6-15,18-19,23,30H,16-17H2,1-5H3
InChIKeyLYFQOGBMXIPPKQ-UHFFFAOYSA-N
MW435.57 g/mol
LogP4.27
Rot. Bonds10

About [5-[3-[di(propan-2-yl)amino]-2-hydroxypropoxy]-3-methyl-1-phenylpyrazol-4-yl]-phenylmethanone

[5-[3-[di(propan-2-yl)amino]-2-hydroxypropoxy]-3-methyl-1-phenylpyrazol-4-yl]-phenylmethanone (PubChem CID 10526890) has the molecular formula C26H33N3O3 and a molecular weight of 435.57 g/mol. Its IUPAC name is [5-[3-[di(propan-2-yl)amino]-2-hydroxypropoxy]-3-methyl-1-phenylpyrazol-4-yl]-phenylmethanone.

Molecular Properties

Compound Name[5-[3-[di(propan-2-yl)amino]-2-hydroxypropoxy]-3-methyl-1-phenylpyrazol-4-yl]-phenylmethanone
PubChem CID10526890
Molecular FormulaC26H33N3O3
Molecular Weight435.57 g/mol
Exact Mass435.25
IUPAC Name[5-[3-[di(propan-2-yl)amino]-2-hydroxypropoxy]-3-methyl-1-phenylpyrazol-4-yl]-phenylmethanone
SMILESCc1nn(-c2ccccc2)c(OCC(O)CN(C(C)C)C(C)C)c1C(=O)c1ccccc1
InChIInChI=1S/C26H33N3O3/c1-18(2)28(19(3)4)16-23(30)17-32-26-24(25(31)21-12-8-6-9-13-21)20(5)27-29(26)22-14-10-7-11-15-22/h6-15,18-19,23,30H,16-17H2,1-5H3
InChIKeyLYFQOGBMXIPPKQ-UHFFFAOYSA-N
XLogP4.27
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [5-[3-[di(propan-2-yl)amino]-2-hydroxypropoxy]-3-methyl-1-phenylpyrazol-4-yl]-phenylmethanone 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 [5-[3-[di(propan-2-yl)amino]-2-hydroxypropoxy]-3-methyl-1-phenylpyrazol-4-yl]-phenylmethanone?
The IUPAC name of [5-[3-[di(propan-2-yl)amino]-2-hydroxypropoxy]-3-methyl-1-phenylpyrazol-4-yl]-phenylmethanone (CID 10526890) is [5-[3-[di(propan-2-yl)amino]-2-hydroxypropoxy]-3-methyl-1-phenylpyrazol-4-yl]-phenylmethanone.
What is the SMILES notation for [5-[3-[di(propan-2-yl)amino]-2-hydroxypropoxy]-3-methyl-1-phenylpyrazol-4-yl]-phenylmethanone?
The canonical SMILES for [5-[3-[di(propan-2-yl)amino]-2-hydroxypropoxy]-3-methyl-1-phenylpyrazol-4-yl]-phenylmethanone is Cc1nn(-c2ccccc2)c(OCC(O)CN(C(C)C)C(C)C)c1C(=O)c1ccccc1.
What is the InChIKey of [5-[3-[di(propan-2-yl)amino]-2-hydroxypropoxy]-3-methyl-1-phenylpyrazol-4-yl]-phenylmethanone?
The InChIKey is LYFQOGBMXIPPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O3/c1-18(2)28(19(3)4)16-23(30)17-32-26-24(25(31)21-12-8-6-9-13-21)20(5)27-29(26)22-14-10-7-11-15-22/h6-15,18-19,23,30H,16-17H2,1-5H3.
What are the key properties of [5-[3-[di(propan-2-yl)amino]-2-hydroxypropoxy]-3-methyl-1-phenylpyrazol-4-yl]-phenylmethanone?
[5-[3-[di(propan-2-yl)amino]-2-hydroxypropoxy]-3-methyl-1-phenylpyrazol-4-yl]-phenylmethanone has a molecular weight of 435.57 g/mol, XLogP of 4.27, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[3-[di(propan-2-yl)amino]-2-hydroxypropoxy]-3-methyl-1-phenylpyrazol-4-yl]-phenylmethanone is sourced from PubChem (CID 10526890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).