diethyl-[(4S)-4-[[1-(3-methylphenyl)-3-thiophen-2-ylpyrazole-5-carbonyl]amino]pentyl]azanium

C24H33N4OS+ — CID 7271221

IUPACdiethyl-[(4S)-4-[[1-(3-methylphenyl)-3-thiophen-2-ylpyrazole-5-carbonyl]amino]pentyl]azanium
SMILESCC[NH+](CC)CCC[C@H](C)NC(=O)c1cc(-c2cccs2)nn1-c1cccc(C)c1
InChIInChI=1S/C24H32N4OS/c1-5-27(6-2)14-8-11-19(4)25-24(29)22-17-21(23-13-9-15-30-23)26-28(22)20-12-7-10-18(3)16-20/h7,9-10,12-13,15-17,19H,5-6,8,11,14H2,1-4H3,(H,25,29)/p+1/t19-/m0/s1
InChIKeyCZESZNFIHPOZCB-IBGZPJMESA-O
MW425.62 g/mol
LogP3.73
Rot. Bonds10

About diethyl-[(4S)-4-[[1-(3-methylphenyl)-3-thiophen-2-ylpyrazole-5-carbonyl]amino]pentyl]azanium

diethyl-[(4S)-4-[[1-(3-methylphenyl)-3-thiophen-2-ylpyrazole-5-carbonyl]amino]pentyl]azanium (PubChem CID 7271221) has the molecular formula C24H33N4OS+ and a molecular weight of 425.62 g/mol. Its IUPAC name is diethyl-[(4S)-4-[[1-(3-methylphenyl)-3-thiophen-2-ylpyrazole-5-carbonyl]amino]pentyl]azanium.

Molecular Properties

Compound Namediethyl-[(4S)-4-[[1-(3-methylphenyl)-3-thiophen-2-ylpyrazole-5-carbonyl]amino]pentyl]azanium
PubChem CID7271221
Molecular FormulaC24H33N4OS+
Molecular Weight425.62 g/mol
Exact Mass425.24
IUPAC Namediethyl-[(4S)-4-[[1-(3-methylphenyl)-3-thiophen-2-ylpyrazole-5-carbonyl]amino]pentyl]azanium
SMILESCC[NH+](CC)CCC[C@H](C)NC(=O)c1cc(-c2cccs2)nn1-c1cccc(C)c1
InChIInChI=1S/C24H32N4OS/c1-5-27(6-2)14-8-11-19(4)25-24(29)22-17-21(23-13-9-15-30-23)26-28(22)20-12-7-10-18(3)16-20/h7,9-10,12-13,15-17,19H,5-6,8,11,14H2,1-4H3,(H,25,29)/p+1/t19-/m0/s1
InChIKeyCZESZNFIHPOZCB-IBGZPJMESA-O
XLogP3.73
TPSA51.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.62
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze diethyl-[(4S)-4-[[1-(3-methylphenyl)-3-thiophen-2-ylpyrazole-5-carbonyl]amino]pentyl]azanium with MolForge

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Related Compounds

diethyl-[(4R)-4-[[1-(3-methylphenyl)-3-thiophen-2-ylpyrazole-5-carbonyl]amino]pentyl]azanium
CID 7271219
N-[(2S)-5-(diethylamino)pentan-2-yl]-1-(3-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 7271222
diethyl-[(4R)-4-[[3-(5-methylfuran-2-yl)-1-phenylpyrazole-5-carbonyl]amino]pentyl]azanium
CID 7373893
N-[(1R)-1,2-diphenylethyl]-1-(3-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 93101162
1-phenyl-N-[(2S)-4-phenylbutan-2-yl]-3-thiophen-2-ylpyrazole-5-carboxamide
CID 7249590
N-[2-(dimethylamino)ethyl]-1-(3-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 42762105
N-(furan-2-ylmethyl)-1-(3-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 42762090
N-[5-(diethylamino)pentan-2-yl]-1-methyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 42762160
[(4R)-4-[[1-(2,5-dimethylphenyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carbonyl]amino]pentyl]-diethylazanium
CID 7286057
1-(4-chlorophenyl)-N-[(2S)-3-methylbutan-2-yl]-3-thiophen-2-ylpyrazole-5-carboxamide
CID 7495251
1-(4-methylphenyl)-N-(2-methylpropyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 812787
N-(3-methylbutan-2-yl)-1-(3-methylphenyl)-3-phenylpyrazole-5-carboxamide
CID 3975682

Frequently Asked Questions

What is the IUPAC name of diethyl-[(4S)-4-[[1-(3-methylphenyl)-3-thiophen-2-ylpyrazole-5-carbonyl]amino]pentyl]azanium?
The IUPAC name of diethyl-[(4S)-4-[[1-(3-methylphenyl)-3-thiophen-2-ylpyrazole-5-carbonyl]amino]pentyl]azanium (CID 7271221) is diethyl-[(4S)-4-[[1-(3-methylphenyl)-3-thiophen-2-ylpyrazole-5-carbonyl]amino]pentyl]azanium.
What is the SMILES notation for diethyl-[(4S)-4-[[1-(3-methylphenyl)-3-thiophen-2-ylpyrazole-5-carbonyl]amino]pentyl]azanium?
The canonical SMILES for diethyl-[(4S)-4-[[1-(3-methylphenyl)-3-thiophen-2-ylpyrazole-5-carbonyl]amino]pentyl]azanium is CC[NH+](CC)CCC[C@H](C)NC(=O)c1cc(-c2cccs2)nn1-c1cccc(C)c1.
What is the InChIKey of diethyl-[(4S)-4-[[1-(3-methylphenyl)-3-thiophen-2-ylpyrazole-5-carbonyl]amino]pentyl]azanium?
The InChIKey is CZESZNFIHPOZCB-IBGZPJMESA-O. The full InChI is InChI=1S/C24H32N4OS/c1-5-27(6-2)14-8-11-19(4)25-24(29)22-17-21(23-13-9-15-30-23)26-28(22)20-12-7-10-18(3)16-20/h7,9-10,12-13,15-17,19H,5-6,8,11,14H2,1-4H3,(H,25,29)/p+1/t19-/m0/s1.
What are the key properties of diethyl-[(4S)-4-[[1-(3-methylphenyl)-3-thiophen-2-ylpyrazole-5-carbonyl]amino]pentyl]azanium?
diethyl-[(4S)-4-[[1-(3-methylphenyl)-3-thiophen-2-ylpyrazole-5-carbonyl]amino]pentyl]azanium has a molecular weight of 425.62 g/mol, XLogP of 3.73, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-[(4S)-4-[[1-(3-methylphenyl)-3-thiophen-2-ylpyrazole-5-carbonyl]amino]pentyl]azanium is sourced from PubChem (CID 7271221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).