2-[3-(3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]-N-phenylbenzamide

C21H23N3O3 — CID 645802

IUPAC2-[3-(3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]-N-phenylbenzamide
SMILESCc1cc(C)n(CC(O)COc2ccccc2C(=O)Nc2ccccc2)n1
InChIInChI=1S/C21H23N3O3/c1-15-12-16(2)24(23-15)13-18(25)14-27-20-11-7-6-10-19(20)21(26)22-17-8-4-3-5-9-17/h3-12,18,25H,13-14H2,1-2H3,(H,22,26)
InChIKeyZGIPIAISSLMZDY-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.19
Rot. Bonds7

About 2-[3-(3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]-N-phenylbenzamide

2-[3-(3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]-N-phenylbenzamide (PubChem CID 645802) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 2-[3-(3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]-N-phenylbenzamide.

Molecular Properties

Compound Name2-[3-(3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]-N-phenylbenzamide
PubChem CID645802
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name2-[3-(3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]-N-phenylbenzamide
SMILESCc1cc(C)n(CC(O)COc2ccccc2C(=O)Nc2ccccc2)n1
InChIInChI=1S/C21H23N3O3/c1-15-12-16(2)24(23-15)13-18(25)14-27-20-11-7-6-10-19(20)21(26)22-17-8-4-3-5-9-17/h3-12,18,25H,13-14H2,1-2H3,(H,22,26)
InChIKeyZGIPIAISSLMZDY-UHFFFAOYSA-N
XLogP3.19
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]-N-phenylbenzamide?
The IUPAC name of 2-[3-(3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]-N-phenylbenzamide (CID 645802) is 2-[3-(3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]-N-phenylbenzamide.
What is the SMILES notation for 2-[3-(3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]-N-phenylbenzamide?
The canonical SMILES for 2-[3-(3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]-N-phenylbenzamide is Cc1cc(C)n(CC(O)COc2ccccc2C(=O)Nc2ccccc2)n1.
What is the InChIKey of 2-[3-(3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]-N-phenylbenzamide?
The InChIKey is ZGIPIAISSLMZDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-15-12-16(2)24(23-15)13-18(25)14-27-20-11-7-6-10-19(20)21(26)22-17-8-4-3-5-9-17/h3-12,18,25H,13-14H2,1-2H3,(H,22,26).
What are the key properties of 2-[3-(3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]-N-phenylbenzamide?
2-[3-(3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]-N-phenylbenzamide has a molecular weight of 365.43 g/mol, XLogP of 3.19, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]-N-phenylbenzamide is sourced from PubChem (CID 645802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).