1-[2-(dimethylamino)ethyl]-N-(3-ethyl-4-methylphenyl)pyrazole-3-carboxamide

C17H24N4O — CID 136551225

IUPAC1-[2-(dimethylamino)ethyl]-N-(3-ethyl-4-methylphenyl)pyrazole-3-carboxamide
SMILESCCc1cc(NC(=O)c2ccn(CCN(C)C)n2)ccc1C
InChIInChI=1S/C17H24N4O/c1-5-14-12-15(7-6-13(14)2)18-17(22)16-8-9-21(19-16)11-10-20(3)4/h6-9,12H,5,10-11H2,1-4H3,(H,18,22)
InChIKeyGPEPKTHFOYDDAH-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.57
Rot. Bonds6

About 1-[2-(dimethylamino)ethyl]-N-(3-ethyl-4-methylphenyl)pyrazole-3-carboxamide

1-[2-(dimethylamino)ethyl]-N-(3-ethyl-4-methylphenyl)pyrazole-3-carboxamide (PubChem CID 136551225) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-N-(3-ethyl-4-methylphenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-N-(3-ethyl-4-methylphenyl)pyrazole-3-carboxamide
PubChem CID136551225
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name1-[2-(dimethylamino)ethyl]-N-(3-ethyl-4-methylphenyl)pyrazole-3-carboxamide
SMILESCCc1cc(NC(=O)c2ccn(CCN(C)C)n2)ccc1C
InChIInChI=1S/C17H24N4O/c1-5-14-12-15(7-6-13(14)2)18-17(22)16-8-9-21(19-16)11-10-20(3)4/h6-9,12H,5,10-11H2,1-4H3,(H,18,22)
InChIKeyGPEPKTHFOYDDAH-UHFFFAOYSA-N
XLogP2.57
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-methylphenyl)-1-propylpyrazole-3-carboxamide
CID 35534416
2-[3-[(3-chloro-4-methylphenyl)carbamoyl]pyrazol-1-yl]acetic acid
CID 19500163
N-(3,4-dimethylphenyl)-1-methylpyrazole-3-carboxamide
CID 573313
1-[3-(3-chloro-4-methylanilino)-3-oxopropyl]pyrazole-3-carboxylic acid
CID 19470648
3-[3-[(4-methylphenyl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19506568
N-(3-amino-4-ethylphenyl)-1-methylpyrazole-3-carboxamide
CID 103116113
N-(3-acetamidophenyl)-1-ethylpyrazole-3-carboxamide
CID 6470772
1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-(3-ethylphenyl)urea
CID 75494374
N-(3-carbamoyl-4-methylphenyl)-1-[2-(dimethylamino)ethyl]pyrazole-4-carboxamide
CID 136556926
1-[2-(dimethylamino)ethyl]-N-(4-methoxynaphthalen-1-yl)pyrazole-3-carboxamide
CID 167845276
1-propyl-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide
CID 35325067
3-[3-[3-(dimethylamino)propylcarbamoyl]pyrazol-1-yl]propanoic acid
CID 19506557

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-N-(3-ethyl-4-methylphenyl)pyrazole-3-carboxamide?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-N-(3-ethyl-4-methylphenyl)pyrazole-3-carboxamide (CID 136551225) is 1-[2-(dimethylamino)ethyl]-N-(3-ethyl-4-methylphenyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-N-(3-ethyl-4-methylphenyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-N-(3-ethyl-4-methylphenyl)pyrazole-3-carboxamide is CCc1cc(NC(=O)c2ccn(CCN(C)C)n2)ccc1C.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-N-(3-ethyl-4-methylphenyl)pyrazole-3-carboxamide?
The InChIKey is GPEPKTHFOYDDAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-5-14-12-15(7-6-13(14)2)18-17(22)16-8-9-21(19-16)11-10-20(3)4/h6-9,12H,5,10-11H2,1-4H3,(H,18,22).
What are the key properties of 1-[2-(dimethylamino)ethyl]-N-(3-ethyl-4-methylphenyl)pyrazole-3-carboxamide?
1-[2-(dimethylamino)ethyl]-N-(3-ethyl-4-methylphenyl)pyrazole-3-carboxamide has a molecular weight of 300.41 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-N-(3-ethyl-4-methylphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 136551225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).