5-(5-chlorothiophen-2-yl)-N-[3-(dimethylamino)propyl]-1-methylpyrazole-3-carboxamide

C14H19ClN4OS — CID 110336642

IUPAC5-(5-chlorothiophen-2-yl)-N-[3-(dimethylamino)propyl]-1-methylpyrazole-3-carboxamide
SMILESCN(C)CCCNC(=O)c1cc(-c2ccc(Cl)s2)n(C)n1
InChIInChI=1S/C14H19ClN4OS/c1-18(2)8-4-7-16-14(20)10-9-11(19(3)17-10)12-5-6-13(15)21-12/h5-6,9H,4,7-8H2,1-3H3,(H,16,20)
InChIKeyIWXOYUKXWYIDIW-UHFFFAOYSA-N
MW326.85 g/mol
LogP2.48
Rot. Bonds6

About 5-(5-chlorothiophen-2-yl)-N-[3-(dimethylamino)propyl]-1-methylpyrazole-3-carboxamide

5-(5-chlorothiophen-2-yl)-N-[3-(dimethylamino)propyl]-1-methylpyrazole-3-carboxamide (PubChem CID 110336642) has the molecular formula C14H19ClN4OS and a molecular weight of 326.85 g/mol. Its IUPAC name is 5-(5-chlorothiophen-2-yl)-N-[3-(dimethylamino)propyl]-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(5-chlorothiophen-2-yl)-N-[3-(dimethylamino)propyl]-1-methylpyrazole-3-carboxamide
PubChem CID110336642
Molecular FormulaC14H19ClN4OS
Molecular Weight326.85 g/mol
Exact Mass326.10
IUPAC Name5-(5-chlorothiophen-2-yl)-N-[3-(dimethylamino)propyl]-1-methylpyrazole-3-carboxamide
SMILESCN(C)CCCNC(=O)c1cc(-c2ccc(Cl)s2)n(C)n1
InChIInChI=1S/C14H19ClN4OS/c1-18(2)8-4-7-16-14(20)10-9-11(19(3)17-10)12-5-6-13(15)21-12/h5-6,9H,4,7-8H2,1-3H3,(H,16,20)
InChIKeyIWXOYUKXWYIDIW-UHFFFAOYSA-N
XLogP2.48
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.85
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(5-chlorothiophen-2-yl)-1-methyl-N-propylpyrazole-3-carboxamide
CID 110336625
5-(5-chlorothiophen-2-yl)-1-methyl-N-(3-methylbutyl)pyrazole-3-carboxamide
CID 110336668
5-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-1-methylpyrazole-3-carboxamide
CID 110336233
N-[2-(dimethylamino)ethyl]-1-methyl-5-phenylpyrazole-3-carboxamide
CID 110336121
N-butyl-1-methyl-5-thiophen-2-ylpyrazole-3-carboxamide
CID 110335994
5-(5-chlorothiophen-2-yl)-1-ethyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide
CID 46104502
N-[3-(dimethylamino)propyl]-5-(1-methylpyrrol-2-yl)-1,2-oxazole-3-carboxamide
CID 139676207
3-(2-chlorophenyl)-N-[3-(dimethylamino)propyl]-1-methylpyrazole-4-carboxamide
CID 56790848
5-(3,4-dichlorophenyl)-1-methyl-N-(2-methylsulfonylethyl)pyrazole-3-carboxamide
CID 110357218
5-(5-chlorothiophen-2-yl)-1-propylpyrazole-3-carboxylic acid
CID 42879169
2-(5-chlorothiophen-2-yl)-N-(3-hydroxypropyl)-1,3-thiazole-4-carboxamide
CID 110904430
3-[3-[3-(dimethylamino)propylcarbamoyl]pyrazol-1-yl]propanoic acid
CID 19506557

Frequently Asked Questions

What is the IUPAC name of 5-(5-chlorothiophen-2-yl)-N-[3-(dimethylamino)propyl]-1-methylpyrazole-3-carboxamide?
The IUPAC name of 5-(5-chlorothiophen-2-yl)-N-[3-(dimethylamino)propyl]-1-methylpyrazole-3-carboxamide (CID 110336642) is 5-(5-chlorothiophen-2-yl)-N-[3-(dimethylamino)propyl]-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 5-(5-chlorothiophen-2-yl)-N-[3-(dimethylamino)propyl]-1-methylpyrazole-3-carboxamide?
The canonical SMILES for 5-(5-chlorothiophen-2-yl)-N-[3-(dimethylamino)propyl]-1-methylpyrazole-3-carboxamide is CN(C)CCCNC(=O)c1cc(-c2ccc(Cl)s2)n(C)n1.
What is the InChIKey of 5-(5-chlorothiophen-2-yl)-N-[3-(dimethylamino)propyl]-1-methylpyrazole-3-carboxamide?
The InChIKey is IWXOYUKXWYIDIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4OS/c1-18(2)8-4-7-16-14(20)10-9-11(19(3)17-10)12-5-6-13(15)21-12/h5-6,9H,4,7-8H2,1-3H3,(H,16,20).
What are the key properties of 5-(5-chlorothiophen-2-yl)-N-[3-(dimethylamino)propyl]-1-methylpyrazole-3-carboxamide?
5-(5-chlorothiophen-2-yl)-N-[3-(dimethylamino)propyl]-1-methylpyrazole-3-carboxamide has a molecular weight of 326.85 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chlorothiophen-2-yl)-N-[3-(dimethylamino)propyl]-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 110336642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).