N-[2-(3,5-dimethyl-4-phenylpyrazol-1-yl)ethyl]-2-methylbenzamide

C21H23N3O — CID 122161592

IUPACN-[2-(3,5-dimethyl-4-phenylpyrazol-1-yl)ethyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCCn1nc(C)c(-c2ccccc2)c1C
InChIInChI=1S/C21H23N3O/c1-15-9-7-8-12-19(15)21(25)22-13-14-24-17(3)20(16(2)23-24)18-10-5-4-6-11-18/h4-12H,13-14H2,1-3H3,(H,22,25)
InChIKeyRRHNHDWPSYVKIC-UHFFFAOYSA-N
MW333.44 g/mol
LogP3.91
Rot. Bonds5

About N-[2-(3,5-dimethyl-4-phenylpyrazol-1-yl)ethyl]-2-methylbenzamide

N-[2-(3,5-dimethyl-4-phenylpyrazol-1-yl)ethyl]-2-methylbenzamide (PubChem CID 122161592) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is N-[2-(3,5-dimethyl-4-phenylpyrazol-1-yl)ethyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethyl-4-phenylpyrazol-1-yl)ethyl]-2-methylbenzamide
PubChem CID122161592
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC NameN-[2-(3,5-dimethyl-4-phenylpyrazol-1-yl)ethyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCCn1nc(C)c(-c2ccccc2)c1C
InChIInChI=1S/C21H23N3O/c1-15-9-7-8-12-19(15)21(25)22-13-14-24-17(3)20(16(2)23-24)18-10-5-4-6-11-18/h4-12H,13-14H2,1-3H3,(H,22,25)
InChIKeyRRHNHDWPSYVKIC-UHFFFAOYSA-N
XLogP3.91
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3,5-dimethyl-4-phenylpyrazol-1-yl)ethyl]-2-[methyl(methylsulfonyl)amino]acetamide
CID 122244472
2-fluoro-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]benzamide
CID 110716746
2-bromo-N-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]benzamide
CID 19281951
ethane;N-(2-hydroxyethyl)-2-methylbenzamide
CID 143093743
N-[3-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]-3-oxopropyl]-2-methylbenzamide
CID 8944660
N-[2-(4-cyclopropyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]-2-methylbenzamide
CID 121116419
3-[3,5-dimethyl-4-(4-methylphenyl)pyrazol-1-yl]propanoic acid
CID 82483431
2-benzylsulfanyl-N-[2-(3,5-dimethyl-4-thiophen-3-ylpyrazol-1-yl)ethyl]acetamide
CID 122161668
N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2-methylbenzamide
CID 19329993
N-[2-(3,5-dimethyl-4-thiophen-3-ylpyrazol-1-yl)ethyl]-2-thiophen-2-ylacetamide
CID 122161661
N-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]-2-methylbenzamide
CID 51275540
2-methyl-5-[(2-methylbenzoyl)amino]pentanoic acid
CID 104681725

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethyl-4-phenylpyrazol-1-yl)ethyl]-2-methylbenzamide?
The IUPAC name of N-[2-(3,5-dimethyl-4-phenylpyrazol-1-yl)ethyl]-2-methylbenzamide (CID 122161592) is N-[2-(3,5-dimethyl-4-phenylpyrazol-1-yl)ethyl]-2-methylbenzamide.
What is the SMILES notation for N-[2-(3,5-dimethyl-4-phenylpyrazol-1-yl)ethyl]-2-methylbenzamide?
The canonical SMILES for N-[2-(3,5-dimethyl-4-phenylpyrazol-1-yl)ethyl]-2-methylbenzamide is Cc1ccccc1C(=O)NCCn1nc(C)c(-c2ccccc2)c1C.
What is the InChIKey of N-[2-(3,5-dimethyl-4-phenylpyrazol-1-yl)ethyl]-2-methylbenzamide?
The InChIKey is RRHNHDWPSYVKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-15-9-7-8-12-19(15)21(25)22-13-14-24-17(3)20(16(2)23-24)18-10-5-4-6-11-18/h4-12H,13-14H2,1-3H3,(H,22,25).
What are the key properties of N-[2-(3,5-dimethyl-4-phenylpyrazol-1-yl)ethyl]-2-methylbenzamide?
N-[2-(3,5-dimethyl-4-phenylpyrazol-1-yl)ethyl]-2-methylbenzamide has a molecular weight of 333.44 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethyl-4-phenylpyrazol-1-yl)ethyl]-2-methylbenzamide is sourced from PubChem (CID 122161592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).