diethyl-[(4R)-4-[[3-(5-methylfuran-2-yl)-1-phenylpyrazole-5-carbonyl]amino]pentyl]azanium

C24H33N4O2+ — CID 7373893

IUPACdiethyl-[(4R)-4-[[3-(5-methylfuran-2-yl)-1-phenylpyrazole-5-carbonyl]amino]pentyl]azanium
SMILESCC[NH+](CC)CCC[C@@H](C)NC(=O)c1cc(-c2ccc(C)o2)nn1-c1ccccc1
InChIInChI=1S/C24H32N4O2/c1-5-27(6-2)16-10-11-18(3)25-24(29)22-17-21(23-15-14-19(4)30-23)26-28(22)20-12-8-7-9-13-20/h7-9,12-15,17-18H,5-6,10-11,16H2,1-4H3,(H,25,29)/p+1/t18-/m1/s1
InChIKeySGVAEPNCKUIFCJ-GOSISDBHSA-O
MW409.55 g/mol
LogP3.26
Rot. Bonds10

About diethyl-[(4R)-4-[[3-(5-methylfuran-2-yl)-1-phenylpyrazole-5-carbonyl]amino]pentyl]azanium

diethyl-[(4R)-4-[[3-(5-methylfuran-2-yl)-1-phenylpyrazole-5-carbonyl]amino]pentyl]azanium (PubChem CID 7373893) has the molecular formula C24H33N4O2+ and a molecular weight of 409.55 g/mol. Its IUPAC name is diethyl-[(4R)-4-[[3-(5-methylfuran-2-yl)-1-phenylpyrazole-5-carbonyl]amino]pentyl]azanium.

Molecular Properties

Compound Namediethyl-[(4R)-4-[[3-(5-methylfuran-2-yl)-1-phenylpyrazole-5-carbonyl]amino]pentyl]azanium
PubChem CID7373893
Molecular FormulaC24H33N4O2+
Molecular Weight409.55 g/mol
Exact Mass409.26
IUPAC Namediethyl-[(4R)-4-[[3-(5-methylfuran-2-yl)-1-phenylpyrazole-5-carbonyl]amino]pentyl]azanium
SMILESCC[NH+](CC)CCC[C@@H](C)NC(=O)c1cc(-c2ccc(C)o2)nn1-c1ccccc1
InChIInChI=1S/C24H32N4O2/c1-5-27(6-2)16-10-11-18(3)25-24(29)22-17-21(23-15-14-19(4)30-23)26-28(22)20-12-8-7-9-13-20/h7-9,12-15,17-18H,5-6,10-11,16H2,1-4H3,(H,25,29)/p+1/t18-/m1/s1
InChIKeySGVAEPNCKUIFCJ-GOSISDBHSA-O
XLogP3.26
TPSA64.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.55
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of diethyl-[(4R)-4-[[3-(5-methylfuran-2-yl)-1-phenylpyrazole-5-carbonyl]amino]pentyl]azanium?
The IUPAC name of diethyl-[(4R)-4-[[3-(5-methylfuran-2-yl)-1-phenylpyrazole-5-carbonyl]amino]pentyl]azanium (CID 7373893) is diethyl-[(4R)-4-[[3-(5-methylfuran-2-yl)-1-phenylpyrazole-5-carbonyl]amino]pentyl]azanium.
What is the SMILES notation for diethyl-[(4R)-4-[[3-(5-methylfuran-2-yl)-1-phenylpyrazole-5-carbonyl]amino]pentyl]azanium?
The canonical SMILES for diethyl-[(4R)-4-[[3-(5-methylfuran-2-yl)-1-phenylpyrazole-5-carbonyl]amino]pentyl]azanium is CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cc(-c2ccc(C)o2)nn1-c1ccccc1.
What is the InChIKey of diethyl-[(4R)-4-[[3-(5-methylfuran-2-yl)-1-phenylpyrazole-5-carbonyl]amino]pentyl]azanium?
The InChIKey is SGVAEPNCKUIFCJ-GOSISDBHSA-O. The full InChI is InChI=1S/C24H32N4O2/c1-5-27(6-2)16-10-11-18(3)25-24(29)22-17-21(23-15-14-19(4)30-23)26-28(22)20-12-8-7-9-13-20/h7-9,12-15,17-18H,5-6,10-11,16H2,1-4H3,(H,25,29)/p+1/t18-/m1/s1.
What are the key properties of diethyl-[(4R)-4-[[3-(5-methylfuran-2-yl)-1-phenylpyrazole-5-carbonyl]amino]pentyl]azanium?
diethyl-[(4R)-4-[[3-(5-methylfuran-2-yl)-1-phenylpyrazole-5-carbonyl]amino]pentyl]azanium has a molecular weight of 409.55 g/mol, XLogP of 3.26, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-[(4R)-4-[[3-(5-methylfuran-2-yl)-1-phenylpyrazole-5-carbonyl]amino]pentyl]azanium is sourced from PubChem (CID 7373893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).