N-[2-(diethylamino)-2-thiophen-2-ylethyl]-1-methyl-5-(4-methylphenyl)pyrazole-3-carboxamide

C22H28N4OS — CID 110302750

IUPACN-[2-(diethylamino)-2-thiophen-2-ylethyl]-1-methyl-5-(4-methylphenyl)pyrazole-3-carboxamide
SMILESCCN(CC)C(CNC(=O)c1cc(-c2ccc(C)cc2)n(C)n1)c1cccs1
InChIInChI=1S/C22H28N4OS/c1-5-26(6-2)20(21-8-7-13-28-21)15-23-22(27)18-14-19(25(4)24-18)17-11-9-16(3)10-12-17/h7-14,20H,5-6,15H2,1-4H3,(H,23,27)
InChIKeyXCHBZGHIQWBRJE-UHFFFAOYSA-N
MW396.56 g/mol
LogP4.27
Rot. Bonds8

About N-[2-(diethylamino)-2-thiophen-2-ylethyl]-1-methyl-5-(4-methylphenyl)pyrazole-3-carboxamide

N-[2-(diethylamino)-2-thiophen-2-ylethyl]-1-methyl-5-(4-methylphenyl)pyrazole-3-carboxamide (PubChem CID 110302750) has the molecular formula C22H28N4OS and a molecular weight of 396.56 g/mol. Its IUPAC name is N-[2-(diethylamino)-2-thiophen-2-ylethyl]-1-methyl-5-(4-methylphenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-2-thiophen-2-ylethyl]-1-methyl-5-(4-methylphenyl)pyrazole-3-carboxamide
PubChem CID110302750
Molecular FormulaC22H28N4OS
Molecular Weight396.56 g/mol
Exact Mass396.20
IUPAC NameN-[2-(diethylamino)-2-thiophen-2-ylethyl]-1-methyl-5-(4-methylphenyl)pyrazole-3-carboxamide
SMILESCCN(CC)C(CNC(=O)c1cc(-c2ccc(C)cc2)n(C)n1)c1cccs1
InChIInChI=1S/C22H28N4OS/c1-5-26(6-2)20(21-8-7-13-28-21)15-23-22(27)18-14-19(25(4)24-18)17-11-9-16(3)10-12-17/h7-14,20H,5-6,15H2,1-4H3,(H,23,27)
InChIKeyXCHBZGHIQWBRJE-UHFFFAOYSA-N
XLogP4.27
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.56
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(diethylamino)-2-thiophen-2-ylethyl]-3-methylbenzamide
CID 112503925
1-methyl-5-(4-methylphenyl)-N-(2-methylsulfonylethyl)pyrazole-3-carboxamide
CID 110357214
N-[2-(diethylamino)-2-thiophen-2-ylethyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 112503950
N-[2-(diethylamino)-2-thiophen-2-ylethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 112503947
N-butyl-1-methyl-5-thiophen-2-ylpyrazole-3-carboxamide
CID 110335994
2-chloro-N-[2-(diethylamino)-2-thiophen-2-ylethyl]-6-fluorobenzamide
CID 112503956
5-chloro-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 9116652
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-5-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide
CID 110302080
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-5-methylpyrazine-2-carboxamide
CID 30531933
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 17016099
1-methyl-5-(4-methylphenyl)-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]pyrazole-3-carboxamide
CID 110307602
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1,2-oxazole-3-carboxamide
CID 43843832

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-2-thiophen-2-ylethyl]-1-methyl-5-(4-methylphenyl)pyrazole-3-carboxamide?
The IUPAC name of N-[2-(diethylamino)-2-thiophen-2-ylethyl]-1-methyl-5-(4-methylphenyl)pyrazole-3-carboxamide (CID 110302750) is N-[2-(diethylamino)-2-thiophen-2-ylethyl]-1-methyl-5-(4-methylphenyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)-2-thiophen-2-ylethyl]-1-methyl-5-(4-methylphenyl)pyrazole-3-carboxamide?
The canonical SMILES for N-[2-(diethylamino)-2-thiophen-2-ylethyl]-1-methyl-5-(4-methylphenyl)pyrazole-3-carboxamide is CCN(CC)C(CNC(=O)c1cc(-c2ccc(C)cc2)n(C)n1)c1cccs1.
What is the InChIKey of N-[2-(diethylamino)-2-thiophen-2-ylethyl]-1-methyl-5-(4-methylphenyl)pyrazole-3-carboxamide?
The InChIKey is XCHBZGHIQWBRJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4OS/c1-5-26(6-2)20(21-8-7-13-28-21)15-23-22(27)18-14-19(25(4)24-18)17-11-9-16(3)10-12-17/h7-14,20H,5-6,15H2,1-4H3,(H,23,27).
What are the key properties of N-[2-(diethylamino)-2-thiophen-2-ylethyl]-1-methyl-5-(4-methylphenyl)pyrazole-3-carboxamide?
N-[2-(diethylamino)-2-thiophen-2-ylethyl]-1-methyl-5-(4-methylphenyl)pyrazole-3-carboxamide has a molecular weight of 396.56 g/mol, XLogP of 4.27, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-2-thiophen-2-ylethyl]-1-methyl-5-(4-methylphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 110302750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).