4-(1-ethyl-3-methylpyrazol-4-yl)-N-(2-hydroxy-2-phenylethyl)-N-methylbenzamide

C22H25N3O2 — CID 122562004

IUPAC4-(1-ethyl-3-methylpyrazol-4-yl)-N-(2-hydroxy-2-phenylethyl)-N-methylbenzamide
SMILESCCn1cc(-c2ccc(C(=O)N(C)CC(O)c3ccccc3)cc2)c(C)n1
InChIInChI=1S/C22H25N3O2/c1-4-25-14-20(16(2)23-25)17-10-12-19(13-11-17)22(27)24(3)15-21(26)18-8-6-5-7-9-18/h5-14,21,26H,4,15H2,1-3H3
InChIKeyNTWWKRQDJSNZDX-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.68
Rot. Bonds6

About 4-(1-ethyl-3-methylpyrazol-4-yl)-N-(2-hydroxy-2-phenylethyl)-N-methylbenzamide

4-(1-ethyl-3-methylpyrazol-4-yl)-N-(2-hydroxy-2-phenylethyl)-N-methylbenzamide (PubChem CID 122562004) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 4-(1-ethyl-3-methylpyrazol-4-yl)-N-(2-hydroxy-2-phenylethyl)-N-methylbenzamide.

Molecular Properties

Compound Name4-(1-ethyl-3-methylpyrazol-4-yl)-N-(2-hydroxy-2-phenylethyl)-N-methylbenzamide
PubChem CID122562004
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name4-(1-ethyl-3-methylpyrazol-4-yl)-N-(2-hydroxy-2-phenylethyl)-N-methylbenzamide
SMILESCCn1cc(-c2ccc(C(=O)N(C)CC(O)c3ccccc3)cc2)c(C)n1
InChIInChI=1S/C22H25N3O2/c1-4-25-14-20(16(2)23-25)17-10-12-19(13-11-17)22(27)24(3)15-21(26)18-8-6-5-7-9-18/h5-14,21,26H,4,15H2,1-3H3
InChIKeyNTWWKRQDJSNZDX-UHFFFAOYSA-N
XLogP3.68
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-Hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-[4-(3-methylpyrazol-1-yl)phenyl]methanone
CID 145974638
5-[2-(3,4-Dimethylphenyl)-2-hydroxyethyl]-2-(4-fluorophenyl)-4H,5H-pyrazolo[1,5-A]pyrazin-4-one
CID 91906873
1-benzyl-3-(4-methylphenyl)-1H-pyrazole-4-carboxylic acid
CID 2463142
2-(4-Fluorophenyl)-5-[2-(4-fluorophenyl)-2-hydroxyethyl]-4H,5H-pyrazolo[1,5-A]pyrazin-4-one
CID 91889178
2-(4-Fluorophenyl)-5-[2-hydroxy-2-(4-methylphenyl)ethyl]-4H,5H-pyrazolo[1,5-A]pyrazin-4-one
CID 91889183
2-(4-Fluorophenyl)-5-{2-hydroxy-2-[4-(propan-2-YL)phenyl]ethyl}-4H,5H-pyrazolo[1,5-A]pyrazin-4-one
CID 91889266
N-[(1R)-1-[4-(hydroxymethyl)phenyl]ethyl]-1-methyl-3-phenylpyrazole-5-carboxamide
CID 155562166
4-(1-methyl-1H-pyrazol-3-yl)benzoic acid
CID 24229466
US10239838, Example 12
CID 121414049
US10617680, Example 154
CID 135355244
US10617680, Example 155
CID 135355561
US11767310, Example 14
CID 167466536

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethyl-3-methylpyrazol-4-yl)-N-(2-hydroxy-2-phenylethyl)-N-methylbenzamide?
The IUPAC name of 4-(1-ethyl-3-methylpyrazol-4-yl)-N-(2-hydroxy-2-phenylethyl)-N-methylbenzamide (CID 122562004) is 4-(1-ethyl-3-methylpyrazol-4-yl)-N-(2-hydroxy-2-phenylethyl)-N-methylbenzamide.
What is the SMILES notation for 4-(1-ethyl-3-methylpyrazol-4-yl)-N-(2-hydroxy-2-phenylethyl)-N-methylbenzamide?
The canonical SMILES for 4-(1-ethyl-3-methylpyrazol-4-yl)-N-(2-hydroxy-2-phenylethyl)-N-methylbenzamide is CCn1cc(-c2ccc(C(=O)N(C)CC(O)c3ccccc3)cc2)c(C)n1.
What is the InChIKey of 4-(1-ethyl-3-methylpyrazol-4-yl)-N-(2-hydroxy-2-phenylethyl)-N-methylbenzamide?
The InChIKey is NTWWKRQDJSNZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-4-25-14-20(16(2)23-25)17-10-12-19(13-11-17)22(27)24(3)15-21(26)18-8-6-5-7-9-18/h5-14,21,26H,4,15H2,1-3H3.
What are the key properties of 4-(1-ethyl-3-methylpyrazol-4-yl)-N-(2-hydroxy-2-phenylethyl)-N-methylbenzamide?
4-(1-ethyl-3-methylpyrazol-4-yl)-N-(2-hydroxy-2-phenylethyl)-N-methylbenzamide has a molecular weight of 363.46 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethyl-3-methylpyrazol-4-yl)-N-(2-hydroxy-2-phenylethyl)-N-methylbenzamide is sourced from PubChem (CID 122562004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).