N-[2-(dimethylamino)ethyl]-1-(4-fluorophenyl)-3-thiophen-2-ylpyrazole-5-carboxamide

C18H19FN4OS — CID 4541303

IUPACN-[2-(dimethylamino)ethyl]-1-(4-fluorophenyl)-3-thiophen-2-ylpyrazole-5-carboxamide
SMILESCN(C)CCNC(=O)c1cc(-c2cccs2)nn1-c1ccc(F)cc1
InChIInChI=1S/C18H19FN4OS/c1-22(2)10-9-20-18(24)16-12-15(17-4-3-11-25-17)21-23(16)14-7-5-13(19)6-8-14/h3-8,11-12H,9-10H2,1-2H3,(H,20,24)
InChIKeyJKVCZKAVZAIPOA-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.03
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-1-(4-fluorophenyl)-3-thiophen-2-ylpyrazole-5-carboxamide

N-[2-(dimethylamino)ethyl]-1-(4-fluorophenyl)-3-thiophen-2-ylpyrazole-5-carboxamide (PubChem CID 4541303) has the molecular formula C18H19FN4OS and a molecular weight of 358.44 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-1-(4-fluorophenyl)-3-thiophen-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-1-(4-fluorophenyl)-3-thiophen-2-ylpyrazole-5-carboxamide
PubChem CID4541303
Molecular FormulaC18H19FN4OS
Molecular Weight358.44 g/mol
Exact Mass358.13
IUPAC NameN-[2-(dimethylamino)ethyl]-1-(4-fluorophenyl)-3-thiophen-2-ylpyrazole-5-carboxamide
SMILESCN(C)CCNC(=O)c1cc(-c2cccs2)nn1-c1ccc(F)cc1
InChIInChI=1S/C18H19FN4OS/c1-22(2)10-9-20-18(24)16-12-15(17-4-3-11-25-17)21-23(16)14-7-5-13(19)6-8-14/h3-8,11-12H,9-10H2,1-2H3,(H,20,24)
InChIKeyJKVCZKAVZAIPOA-UHFFFAOYSA-N
XLogP3.03
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.03
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-(3-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 42762105
N-butyl-1-(4-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 3514814
1-(4-chlorophenyl)-N-(3-methylbutyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 3468466
N-butyl-1-(4-methoxyphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 4212404
N'-(4-fluorobenzoyl)-1-phenyl-3-thiophen-2-ylpyrazole-5-carbohydrazide
CID 7946021
2-[[1-(4-methoxyphenyl)-3-thiophen-2-ylpyrazole-5-carbonyl]amino]ethyl-dimethylazanium
CID 7250102
1-(4-methylphenyl)-N-(2-methylpropyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 812787
2-[[1-(3,4-dichlorophenyl)-3-thiophen-2-ylpyrazole-5-carbonyl]amino]ethyl-dimethylazanium
CID 7201673
1-(3,4-dichlorophenyl)-N-hexyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 4537760
[1-(4-fluorophenyl)-3-thiophen-2-ylpyrazol-5-yl]-pyrrolidin-1-ylmethanone
CID 812780
[1-(4-fluorophenyl)-3-thiophen-2-ylpyrazol-5-yl]-piperidin-1-ylmethanone
CID 42761837

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-1-(4-fluorophenyl)-3-thiophen-2-ylpyrazole-5-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-1-(4-fluorophenyl)-3-thiophen-2-ylpyrazole-5-carboxamide (CID 4541303) is N-[2-(dimethylamino)ethyl]-1-(4-fluorophenyl)-3-thiophen-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-1-(4-fluorophenyl)-3-thiophen-2-ylpyrazole-5-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-1-(4-fluorophenyl)-3-thiophen-2-ylpyrazole-5-carboxamide is CN(C)CCNC(=O)c1cc(-c2cccs2)nn1-c1ccc(F)cc1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-1-(4-fluorophenyl)-3-thiophen-2-ylpyrazole-5-carboxamide?
The InChIKey is JKVCZKAVZAIPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4OS/c1-22(2)10-9-20-18(24)16-12-15(17-4-3-11-25-17)21-23(16)14-7-5-13(19)6-8-14/h3-8,11-12H,9-10H2,1-2H3,(H,20,24).
What are the key properties of N-[2-(dimethylamino)ethyl]-1-(4-fluorophenyl)-3-thiophen-2-ylpyrazole-5-carboxamide?
N-[2-(dimethylamino)ethyl]-1-(4-fluorophenyl)-3-thiophen-2-ylpyrazole-5-carboxamide has a molecular weight of 358.44 g/mol, XLogP of 3.03, 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-(4-fluorophenyl)-3-thiophen-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 4541303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).