N-[2-(dimethylamino)ethyl]-1-(3-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide

C19H22N4OS — CID 42762105

IUPACN-[2-(dimethylamino)ethyl]-1-(3-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide
SMILESCc1cccc(-n2nc(-c3cccs3)cc2C(=O)NCCN(C)C)c1
InChIInChI=1S/C19H22N4OS/c1-14-6-4-7-15(12-14)23-17(19(24)20-9-10-22(2)3)13-16(21-23)18-8-5-11-25-18/h4-8,11-13H,9-10H2,1-3H3,(H,20,24)
InChIKeyUDZJEPPIUXODRT-UHFFFAOYSA-N
MW354.48 g/mol
LogP3.20
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-1-(3-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide

N-[2-(dimethylamino)ethyl]-1-(3-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide (PubChem CID 42762105) has the molecular formula C19H22N4OS and a molecular weight of 354.48 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-1-(3-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-1-(3-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide
PubChem CID42762105
Molecular FormulaC19H22N4OS
Molecular Weight354.48 g/mol
Exact Mass354.15
IUPAC NameN-[2-(dimethylamino)ethyl]-1-(3-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide
SMILESCc1cccc(-n2nc(-c3cccs3)cc2C(=O)NCCN(C)C)c1
InChIInChI=1S/C19H22N4OS/c1-14-6-4-7-15(12-14)23-17(19(24)20-9-10-22(2)3)13-16(21-23)18-8-5-11-25-18/h4-8,11-13H,9-10H2,1-3H3,(H,20,24)
InChIKeyUDZJEPPIUXODRT-UHFFFAOYSA-N
XLogP3.20
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-3-thiophen-2-ylpyrazole-5-carboxamide
CID 42761828
N-[2-(dimethylamino)ethyl]-1-(4-fluorophenyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 4541303
N-(furan-2-ylmethyl)-1-(3-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 42762090
N-[(2S)-5-(diethylamino)pentan-2-yl]-1-(3-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 7271222
N-butyl-1-(4-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 3514814
N-[(1R)-1,2-diphenylethyl]-1-(3-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 93101162
1-(3-nitrophenyl)-N-propyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 42762114
1-(3-chlorophenyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 7218444
diethyl-[(4R)-4-[[1-(3-methylphenyl)-3-thiophen-2-ylpyrazole-5-carbonyl]amino]pentyl]azanium
CID 7271219
diethyl-[(4S)-4-[[1-(3-methylphenyl)-3-thiophen-2-ylpyrazole-5-carbonyl]amino]pentyl]azanium
CID 7271221
1-(4-methylphenyl)-N-(2-methylpropyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 812787
[1-(3-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]-(4-methylpiperidin-1-yl)methanone
CID 3957746

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-1-(3-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-1-(3-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide (CID 42762105) is N-[2-(dimethylamino)ethyl]-1-(3-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-1-(3-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-1-(3-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide is Cc1cccc(-n2nc(-c3cccs3)cc2C(=O)NCCN(C)C)c1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-1-(3-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide?
The InChIKey is UDZJEPPIUXODRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4OS/c1-14-6-4-7-15(12-14)23-17(19(24)20-9-10-22(2)3)13-16(21-23)18-8-5-11-25-18/h4-8,11-13H,9-10H2,1-3H3,(H,20,24).
What are the key properties of N-[2-(dimethylamino)ethyl]-1-(3-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide?
N-[2-(dimethylamino)ethyl]-1-(3-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide has a molecular weight of 354.48 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-1-(3-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 42762105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).