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

C18H19ClN4OS — CID 42761828

IUPAC1-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-3-thiophen-2-ylpyrazole-5-carboxamide
SMILESCN(C)CCNC(=O)c1cc(-c2cccs2)nn1-c1ccc(Cl)cc1
InChIInChI=1S/C18H19ClN4OS/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)
InChIKeyKVHJULVIQQONEV-UHFFFAOYSA-N
MW374.90 g/mol
LogP3.55
Rot. Bonds6

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

1-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-3-thiophen-2-ylpyrazole-5-carboxamide (PubChem CID 42761828) has the molecular formula C18H19ClN4OS and a molecular weight of 374.90 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-3-thiophen-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-3-thiophen-2-ylpyrazole-5-carboxamide
PubChem CID42761828
Molecular FormulaC18H19ClN4OS
Molecular Weight374.90 g/mol
Exact Mass374.10
IUPAC Name1-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-3-thiophen-2-ylpyrazole-5-carboxamide
SMILESCN(C)CCNC(=O)c1cc(-c2cccs2)nn1-c1ccc(Cl)cc1
InChIInChI=1S/C18H19ClN4OS/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)
InChIKeyKVHJULVIQQONEV-UHFFFAOYSA-N
XLogP3.55
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.90
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(dimethylamino)ethyl]-1-(4-fluorophenyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 4541303
1-(4-chlorophenyl)-N-(3-methylbutyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 3468466
N-[2-(dimethylamino)ethyl]-1-(3-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 42762105
1-(4-chlorophenyl)-N-ethoxy-3-thiophen-2-ylpyrazole-5-carboxamide
CID 42761829
1-(4-chlorophenyl)-N-[(2S)-3-methylbutan-2-yl]-3-thiophen-2-ylpyrazole-5-carboxamide
CID 7495251
1-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-3-(4-methoxyphenyl)pyrazole-5-carboxamide
CID 42755338
N-butyl-1-(4-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 3514814
2-[[1-(3,4-dichlorophenyl)-3-thiophen-2-ylpyrazole-5-carbonyl]amino]ethyl-dimethylazanium
CID 7201673
1-(4-chlorophenyl)-N-[(1S)-1-phenylethyl]-3-thiophen-2-ylpyrazole-5-carboxamide
CID 7414159
1-(3,4-dichlorophenyl)-N-hexyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 4537760
1-(3-chlorophenyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 7218444
N-butyl-1-(4-methoxyphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 4212404

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-3-thiophen-2-ylpyrazole-5-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-3-thiophen-2-ylpyrazole-5-carboxamide (CID 42761828) is 1-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-3-thiophen-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-3-thiophen-2-ylpyrazole-5-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-3-thiophen-2-ylpyrazole-5-carboxamide is CN(C)CCNC(=O)c1cc(-c2cccs2)nn1-c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-3-thiophen-2-ylpyrazole-5-carboxamide?
The InChIKey is KVHJULVIQQONEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4OS/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 1-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-3-thiophen-2-ylpyrazole-5-carboxamide?
1-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-3-thiophen-2-ylpyrazole-5-carboxamide has a molecular weight of 374.90 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-3-thiophen-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 42761828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).