2,4-dimethyl-N-[1-(3-pyrazol-1-ylphenyl)ethyl]benzamide

C20H21N3O — CID 166217035

IUPAC2,4-dimethyl-N-[1-(3-pyrazol-1-ylphenyl)ethyl]benzamide
SMILESCc1ccc(C(=O)NC(C)c2cccc(-n3cccn3)c2)c(C)c1
InChIInChI=1S/C20H21N3O/c1-14-8-9-19(15(2)12-14)20(24)22-16(3)17-6-4-7-18(13-17)23-11-5-10-21-23/h4-13,16H,1-3H3,(H,22,24)
InChIKeyFQBAQLRPCXCZCX-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.98
Rot. Bonds4

About 2,4-dimethyl-N-[1-(3-pyrazol-1-ylphenyl)ethyl]benzamide

2,4-dimethyl-N-[1-(3-pyrazol-1-ylphenyl)ethyl]benzamide (PubChem CID 166217035) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is 2,4-dimethyl-N-[1-(3-pyrazol-1-ylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[1-(3-pyrazol-1-ylphenyl)ethyl]benzamide
PubChem CID166217035
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name2,4-dimethyl-N-[1-(3-pyrazol-1-ylphenyl)ethyl]benzamide
SMILESCc1ccc(C(=O)NC(C)c2cccc(-n3cccn3)c2)c(C)c1
InChIInChI=1S/C20H21N3O/c1-14-8-9-19(15(2)12-14)20(24)22-16(3)17-6-4-7-18(13-17)23-11-5-10-21-23/h4-13,16H,1-3H3,(H,22,24)
InChIKeyFQBAQLRPCXCZCX-UHFFFAOYSA-N
XLogP3.98
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 ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-pyrazol-1-ylphenyl)ethyl]acetamide
CID 175743985
3-amino-2-methyl-N-[1-(3-pyrazol-1-ylphenyl)ethyl]butanamide
CID 120501001
(2R)-2-methylsulfanyl-N-[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]propanamide
CID 95933671
N-methyl-1-(3-pyrazol-1-ylphenyl)ethanamine
CID 16640542
3-(4-methylpyrazol-1-yl)-N-[(1R)-1-(3-pyrazol-1-ylphenyl)ethyl]propanamide
CID 95906003
2,4-dimethyl-N-(1-naphthalen-2-ylethyl)benzamide
CID 43011349
cis-(1R,2S)-2-[[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 125119060
2,4-dimethyl-N-[2-[[(1R)-1-phenylethyl]carbamoyl]phenyl]benzamide
CID 26242918
1-[(1R)-1-(3-pyrazol-1-ylphenyl)ethyl]-3-(1,3-thiazol-2-yl)urea
CID 95904281
3,3-dimethyl-5-oxo-5-[1-(3-pyrazol-1-ylphenyl)ethylamino]pentanoic acid
CID 119139749
1-(2-ethyl-4-methyl-3-pyridinyl)-3-[1-(3-pyrazol-1-ylphenyl)ethyl]urea
CID 138026497
(2S)-2-hydroxy-2-(1-methylpyrazol-4-yl)-N-[(1R)-1-(3-pyrazol-1-ylphenyl)ethyl]acetamide
CID 124877320

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[1-(3-pyrazol-1-ylphenyl)ethyl]benzamide?
The IUPAC name of 2,4-dimethyl-N-[1-(3-pyrazol-1-ylphenyl)ethyl]benzamide (CID 166217035) is 2,4-dimethyl-N-[1-(3-pyrazol-1-ylphenyl)ethyl]benzamide.
What is the SMILES notation for 2,4-dimethyl-N-[1-(3-pyrazol-1-ylphenyl)ethyl]benzamide?
The canonical SMILES for 2,4-dimethyl-N-[1-(3-pyrazol-1-ylphenyl)ethyl]benzamide is Cc1ccc(C(=O)NC(C)c2cccc(-n3cccn3)c2)c(C)c1.
What is the InChIKey of 2,4-dimethyl-N-[1-(3-pyrazol-1-ylphenyl)ethyl]benzamide?
The InChIKey is FQBAQLRPCXCZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-14-8-9-19(15(2)12-14)20(24)22-16(3)17-6-4-7-18(13-17)23-11-5-10-21-23/h4-13,16H,1-3H3,(H,22,24).
What are the key properties of 2,4-dimethyl-N-[1-(3-pyrazol-1-ylphenyl)ethyl]benzamide?
2,4-dimethyl-N-[1-(3-pyrazol-1-ylphenyl)ethyl]benzamide has a molecular weight of 319.41 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[1-(3-pyrazol-1-ylphenyl)ethyl]benzamide is sourced from PubChem (CID 166217035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).