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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Related Compounds

5-benzyl-1-methyl-N-[(3S)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyrazole-3-carboxamide
CID 137635629
N-{4-[2-hydroxy-3-(3,4,5-trimethyl-1H-pyrazol-1-yl)propoxy]phenyl}acetamide
CID 5298752
N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl)-2-methoxybenzamide
CID 658803
1-(2-ethoxybenzoyl)-3,5-dimethyl-1H-pyrazole
CID 898261
N-{4-[2-(2-Hydroxyethylamino)ethoxy]-3-(1-methyl-1H-pyrazol-5-yl)phenyl}-3-methoxybenzamide
CID 24889531
N-(4-(2-aminoethoxy)-3-(1-methyl-1H-pyrazol-5-yl)phenyl)-3-methoxybenzamide
CID 46833678
3-[[1-(2-hydroxyethyl)-3-methyl-5-phenylpyrazol-4-yl]methyl]-N-(3-methoxyphenyl)benzamide
CID 11419335
N-{4-[3-(4-acetyl-3,5-dimethyl-1H-pyrazol-1-yl)-2-hydroxypropoxy]phenyl}acetamide
CID 2962056
2-ethoxy-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 1224532
[5-(3-Diisopropylamino-2-hydroxy-propoxy)-3-methyl-1-phenyl-1H-pyrazol-4-yl]-phenyl-methanone
CID 10526890
Ethyl 1-(2-hydroxy-3-phenoxypropyl)-3-phenylpyrazole-5-carboxylate
CID 44420124
N-[4-(2-methoxyethoxy)-3-(2-methylpyrazol-3-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 24889856

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).