N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-ethylbenzamide

C20H21N3O — CID 38760630

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-ethylbenzamide
SMILESCCc1ccc(C(=O)Nc2ccccc2-n2nc(C)cc2C)cc1
InChIInChI=1S/C20H21N3O/c1-4-16-9-11-17(12-10-16)20(24)21-18-7-5-6-8-19(18)23-15(3)13-14(2)22-23/h5-13H,4H2,1-3H3,(H,21,24)
InChIKeyWAFAKHTXXBFVGY-UHFFFAOYSA-N
MW319.41 g/mol
LogP4.30
Rot. Bonds4

About N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-ethylbenzamide

N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-ethylbenzamide (PubChem CID 38760630) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-ethylbenzamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-ethylbenzamide
PubChem CID38760630
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-ethylbenzamide
SMILESCCc1ccc(C(=O)Nc2ccccc2-n2nc(C)cc2C)cc1
InChIInChI=1S/C20H21N3O/c1-4-16-9-11-17(12-10-16)20(24)21-18-7-5-6-8-19(18)23-15(3)13-14(2)22-23/h5-13H,4H2,1-3H3,(H,21,24)
InChIKeyWAFAKHTXXBFVGY-UHFFFAOYSA-N
XLogP4.30
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-(trifluoromethyl)benzamide
CID 43074055
4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]benzamide
CID 55635677
3-(diethylsulfamoyl)-N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-methylbenzamide
CID 43073967
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 37093234
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 43073960
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 43073972
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 38760567
4-(3,5-dimethylpyrazol-1-yl)-N-(2-methylphenyl)benzamide
CID 2354201
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-3,3-dimethylbutanamide
CID 43074025
1-(2,4-difluorophenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-5-methylpyrazole-3-carboxamide
CID 167870149
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-6-morpholin-4-ylpyridine-3-carboxamide
CID 38760833
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-2-(2-hydroxyphenyl)acetamide
CID 52847994

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-ethylbenzamide?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-ethylbenzamide (CID 38760630) is N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-ethylbenzamide.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-ethylbenzamide?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-ethylbenzamide is CCc1ccc(C(=O)Nc2ccccc2-n2nc(C)cc2C)cc1.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-ethylbenzamide?
The InChIKey is WAFAKHTXXBFVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-4-16-9-11-17(12-10-16)20(24)21-18-7-5-6-8-19(18)23-15(3)13-14(2)22-23/h5-13H,4H2,1-3H3,(H,21,24).
What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-ethylbenzamide?
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-ethylbenzamide has a molecular weight of 319.41 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-ethylbenzamide is sourced from PubChem (CID 38760630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).