[(4R)-4-[[1-(2,5-dimethylphenyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carbonyl]amino]pentyl]-diethylazanium

C26H38N5O+ — CID 7286057

IUPAC[(4R)-4-[[1-(2,5-dimethylphenyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carbonyl]amino]pentyl]-diethylazanium
SMILESCC[NH+](CC)CCC[C@@H](C)NC(=O)c1cc(-c2cccn2C)nn1-c1cc(C)ccc1C
InChIInChI=1S/C26H37N5O/c1-7-30(8-2)16-9-11-21(5)27-26(32)25-18-22(23-12-10-15-29(23)6)28-31(25)24-17-19(3)13-14-20(24)4/h10,12-15,17-18,21H,7-9,11,16H2,1-6H3,(H,27,32)/p+1/t21-/m1/s1
InChIKeyJHIHQYVGVCAOMU-OAQYLSRUSA-O
MW436.62 g/mol
LogP3.32
Rot. Bonds10

About [(4R)-4-[[1-(2,5-dimethylphenyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carbonyl]amino]pentyl]-diethylazanium

[(4R)-4-[[1-(2,5-dimethylphenyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carbonyl]amino]pentyl]-diethylazanium (PubChem CID 7286057) has the molecular formula C26H38N5O+ and a molecular weight of 436.62 g/mol. Its IUPAC name is [(4R)-4-[[1-(2,5-dimethylphenyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carbonyl]amino]pentyl]-diethylazanium.

Molecular Properties

Compound Name[(4R)-4-[[1-(2,5-dimethylphenyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carbonyl]amino]pentyl]-diethylazanium
PubChem CID7286057
Molecular FormulaC26H38N5O+
Molecular Weight436.62 g/mol
Exact Mass436.31
IUPAC Name[(4R)-4-[[1-(2,5-dimethylphenyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carbonyl]amino]pentyl]-diethylazanium
SMILESCC[NH+](CC)CCC[C@@H](C)NC(=O)c1cc(-c2cccn2C)nn1-c1cc(C)ccc1C
InChIInChI=1S/C26H37N5O/c1-7-30(8-2)16-9-11-21(5)27-26(32)25-18-22(23-12-10-15-29(23)6)28-31(25)24-17-19(3)13-14-20(24)4/h10,12-15,17-18,21H,7-9,11,16H2,1-6H3,(H,27,32)/p+1/t21-/m1/s1
InChIKeyJHIHQYVGVCAOMU-OAQYLSRUSA-O
XLogP3.32
TPSA56.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.62
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [(4R)-4-[[1-(2,5-dimethylphenyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carbonyl]amino]pentyl]-diethylazanium with MolForge

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Related Compounds

N-[5-(diethylamino)pentan-2-yl]-1-(2,4-dimethylphenyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide
CID 3603848
N-butyl-1-(2,5-dimethylphenyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide
CID 4045506
N-[5-(diethylamino)pentan-2-yl]-1-(2,5-dimethylphenyl)-3-(4-fluorophenyl)pyrazole-5-carboxamide
CID 42755258
N-[(2R)-butan-2-yl]-1-(2-chlorophenyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide
CID 7249045
1-(2,5-dimethylphenyl)-3-(1-methylpyrrol-2-yl)-N-(3-morpholin-4-ylpropyl)pyrazole-5-carboxamide
CID 4297341
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
diethyl-[(4R)-4-[[3-(5-methylfuran-2-yl)-1-phenylpyrazole-5-carbonyl]amino]pentyl]azanium
CID 7373893
1-(2,4-dimethylphenyl)-N-ethoxy-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide
CID 4202277
ethyl 4-[1-(2,5-dimethylphenyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carbonyl]piperazine-1-carboxylate
CID 3904099
N-butan-2-yl-1-(2,5-dimethylphenyl)-3-(4-nitrophenyl)pyrazole-5-carboxamide
CID 3294656
N-butan-2-yl-1-(3,4-dichlorophenyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide
CID 3314854

Frequently Asked Questions

What is the IUPAC name of [(4R)-4-[[1-(2,5-dimethylphenyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carbonyl]amino]pentyl]-diethylazanium?
The IUPAC name of [(4R)-4-[[1-(2,5-dimethylphenyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carbonyl]amino]pentyl]-diethylazanium (CID 7286057) is [(4R)-4-[[1-(2,5-dimethylphenyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carbonyl]amino]pentyl]-diethylazanium.
What is the SMILES notation for [(4R)-4-[[1-(2,5-dimethylphenyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carbonyl]amino]pentyl]-diethylazanium?
The canonical SMILES for [(4R)-4-[[1-(2,5-dimethylphenyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carbonyl]amino]pentyl]-diethylazanium is CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cc(-c2cccn2C)nn1-c1cc(C)ccc1C.
What is the InChIKey of [(4R)-4-[[1-(2,5-dimethylphenyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carbonyl]amino]pentyl]-diethylazanium?
The InChIKey is JHIHQYVGVCAOMU-OAQYLSRUSA-O. The full InChI is InChI=1S/C26H37N5O/c1-7-30(8-2)16-9-11-21(5)27-26(32)25-18-22(23-12-10-15-29(23)6)28-31(25)24-17-19(3)13-14-20(24)4/h10,12-15,17-18,21H,7-9,11,16H2,1-6H3,(H,27,32)/p+1/t21-/m1/s1.
What are the key properties of [(4R)-4-[[1-(2,5-dimethylphenyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carbonyl]amino]pentyl]-diethylazanium?
[(4R)-4-[[1-(2,5-dimethylphenyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carbonyl]amino]pentyl]-diethylazanium has a molecular weight of 436.62 g/mol, XLogP of 3.32, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-4-[[1-(2,5-dimethylphenyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carbonyl]amino]pentyl]-diethylazanium is sourced from PubChem (CID 7286057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).