N-[5-(diethylamino)pentan-2-yl]-1-methyl-3-thiophen-2-ylpyrazole-5-carboxamide

C18H28N4OS — CID 42762160

IUPACN-[5-(diethylamino)pentan-2-yl]-1-methyl-3-thiophen-2-ylpyrazole-5-carboxamide
SMILESCCN(CC)CCCC(C)NC(=O)c1cc(-c2cccs2)nn1C
InChIInChI=1S/C18H28N4OS/c1-5-22(6-2)11-7-9-14(3)19-18(23)16-13-15(20-21(16)4)17-10-8-12-24-17/h8,10,12-14H,5-7,9,11H2,1-4H3,(H,19,23)
InChIKeyZWBSYMJGYFKRGF-UHFFFAOYSA-N
MW348.52 g/mol
LogP3.39
Rot. Bonds9

About N-[5-(diethylamino)pentan-2-yl]-1-methyl-3-thiophen-2-ylpyrazole-5-carboxamide

N-[5-(diethylamino)pentan-2-yl]-1-methyl-3-thiophen-2-ylpyrazole-5-carboxamide (PubChem CID 42762160) has the molecular formula C18H28N4OS and a molecular weight of 348.52 g/mol. Its IUPAC name is N-[5-(diethylamino)pentan-2-yl]-1-methyl-3-thiophen-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[5-(diethylamino)pentan-2-yl]-1-methyl-3-thiophen-2-ylpyrazole-5-carboxamide
PubChem CID42762160
Molecular FormulaC18H28N4OS
Molecular Weight348.52 g/mol
Exact Mass348.20
IUPAC NameN-[5-(diethylamino)pentan-2-yl]-1-methyl-3-thiophen-2-ylpyrazole-5-carboxamide
SMILESCCN(CC)CCCC(C)NC(=O)c1cc(-c2cccs2)nn1C
InChIInChI=1S/C18H28N4OS/c1-5-22(6-2)11-7-9-14(3)19-18(23)16-13-15(20-21(16)4)17-10-8-12-24-17/h8,10,12-14H,5-7,9,11H2,1-4H3,(H,19,23)
InChIKeyZWBSYMJGYFKRGF-UHFFFAOYSA-N
XLogP3.39
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.52
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-5-(diethylamino)pentan-2-yl]-1-(3-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 7271222
N-(3,3-diphenylpropyl)-1-methyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 4274947
N-[(2S)-5-(diethylamino)pentan-2-yl]-6-fluoro-2-thiophen-2-ylquinoline-4-carboxamide
CID 7296623
diethyl-[(4S)-4-[[1-(3-methylphenyl)-3-thiophen-2-ylpyrazole-5-carbonyl]amino]pentyl]azanium
CID 7271221
diethyl-[(4R)-4-[[1-(3-methylphenyl)-3-thiophen-2-ylpyrazole-5-carbonyl]amino]pentyl]azanium
CID 7271219
1-phenyl-N-[(2S)-4-phenylbutan-2-yl]-3-thiophen-2-ylpyrazole-5-carboxamide
CID 7249590
1-methyl-N-[(2R)-1-thiophen-2-ylpropan-2-yl]-3-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide
CID 99933458
1-methyl-N-(4-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 812762
1-methyl-N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]-3-thiophen-2-ylpyrazole-5-carboxamide
CID 71805067
1-methyl-N-(pyridin-2-ylmethyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 42762181
N-cyclohexyl-1-methyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 42762130
1-methyl-3-thiophen-2-yl-N-[3-(1,2,4-triazol-1-yl)propyl]pyrazole-5-carboxamide
CID 91773983

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylamino)pentan-2-yl]-1-methyl-3-thiophen-2-ylpyrazole-5-carboxamide?
The IUPAC name of N-[5-(diethylamino)pentan-2-yl]-1-methyl-3-thiophen-2-ylpyrazole-5-carboxamide (CID 42762160) is N-[5-(diethylamino)pentan-2-yl]-1-methyl-3-thiophen-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for N-[5-(diethylamino)pentan-2-yl]-1-methyl-3-thiophen-2-ylpyrazole-5-carboxamide?
The canonical SMILES for N-[5-(diethylamino)pentan-2-yl]-1-methyl-3-thiophen-2-ylpyrazole-5-carboxamide is CCN(CC)CCCC(C)NC(=O)c1cc(-c2cccs2)nn1C.
What is the InChIKey of N-[5-(diethylamino)pentan-2-yl]-1-methyl-3-thiophen-2-ylpyrazole-5-carboxamide?
The InChIKey is ZWBSYMJGYFKRGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4OS/c1-5-22(6-2)11-7-9-14(3)19-18(23)16-13-15(20-21(16)4)17-10-8-12-24-17/h8,10,12-14H,5-7,9,11H2,1-4H3,(H,19,23).
What are the key properties of N-[5-(diethylamino)pentan-2-yl]-1-methyl-3-thiophen-2-ylpyrazole-5-carboxamide?
N-[5-(diethylamino)pentan-2-yl]-1-methyl-3-thiophen-2-ylpyrazole-5-carboxamide has a molecular weight of 348.52 g/mol, XLogP of 3.39, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylamino)pentan-2-yl]-1-methyl-3-thiophen-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 42762160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).