(1,3-diphenylpyrazol-4-yl)methyl-[2-(ethylcarbamoylamino)-2-oxoethyl]-methylazanium

C22H26N5O2+ — CID 9437025

IUPAC(1,3-diphenylpyrazol-4-yl)methyl-[2-(ethylcarbamoylamino)-2-oxoethyl]-methylazanium
SMILESCCNC(=O)NC(=O)C[NH+](C)Cc1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C22H25N5O2/c1-3-23-22(29)24-20(28)16-26(2)14-18-15-27(19-12-8-5-9-13-19)25-21(18)17-10-6-4-7-11-17/h4-13,15H,3,14,16H2,1-2H3,(H2,23,24,28,29)/p+1
InChIKeyHICKNQFUKIEYKL-UHFFFAOYSA-O
MW392.48 g/mol
LogP1.40
Rot. Bonds7

About (1,3-diphenylpyrazol-4-yl)methyl-[2-(ethylcarbamoylamino)-2-oxoethyl]-methylazanium

(1,3-diphenylpyrazol-4-yl)methyl-[2-(ethylcarbamoylamino)-2-oxoethyl]-methylazanium (PubChem CID 9437025) has the molecular formula C22H26N5O2+ and a molecular weight of 392.48 g/mol. Its IUPAC name is (1,3-diphenylpyrazol-4-yl)methyl-[2-(ethylcarbamoylamino)-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name(1,3-diphenylpyrazol-4-yl)methyl-[2-(ethylcarbamoylamino)-2-oxoethyl]-methylazanium
PubChem CID9437025
Molecular FormulaC22H26N5O2+
Molecular Weight392.48 g/mol
Exact Mass392.21
IUPAC Name(1,3-diphenylpyrazol-4-yl)methyl-[2-(ethylcarbamoylamino)-2-oxoethyl]-methylazanium
SMILESCCNC(=O)NC(=O)C[NH+](C)Cc1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C22H25N5O2/c1-3-23-22(29)24-20(28)16-26(2)14-18-15-27(19-12-8-5-9-13-19)25-21(18)17-10-6-4-7-11-17/h4-13,15H,3,14,16H2,1-2H3,(H2,23,24,28,29)/p+1
InChIKeyHICKNQFUKIEYKL-UHFFFAOYSA-O
XLogP1.40
TPSA80.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(1,3-diphenylpyrazol-4-yl)methyl-[2-(furan-2-ylmethylamino)-2-oxoethyl]-methylazanium
CID 8914987
(1,3-diphenylpyrazol-4-yl)methyl-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-methylazanium
CID 8915264
[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 9050268
(1,3-diphenylpyrazol-4-yl)methyl-[2-(ethoxycarbonylamino)-2-oxoethyl]-ethylazanium
CID 8792131
2-[(1,3-diphenylpyrazol-4-yl)methyl-ethylamino]-N-ethylacetamide
CID 8683016
(1,3-diphenylpyrazol-4-yl)methyl-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium
CID 9124571
4-[(1,3-diphenylpyrazol-4-yl)methyl]-N-ethylpiperazine-1-carboxamide
CID 78818653
3-[(1,3-diphenylpyrazol-4-yl)methyl-methylazaniumyl]propane-1-sulfonate
CID 8915178
[(2R)-2-cyanopropyl]-[(1,3-diphenylpyrazol-4-yl)methyl]-methylazanium
CID 8915213
[(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 1,3-diphenylpyrazole-4-carboxylate
CID 2580677
N-ethyl-2-[ethyl-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]amino]acetamide
CID 9433463
2-(4-acetylphenoxy)-N-[(1,3-diphenylpyrazol-4-yl)methyl]acetamide
CID 24606878

Frequently Asked Questions

What is the IUPAC name of (1,3-diphenylpyrazol-4-yl)methyl-[2-(ethylcarbamoylamino)-2-oxoethyl]-methylazanium?
The IUPAC name of (1,3-diphenylpyrazol-4-yl)methyl-[2-(ethylcarbamoylamino)-2-oxoethyl]-methylazanium (CID 9437025) is (1,3-diphenylpyrazol-4-yl)methyl-[2-(ethylcarbamoylamino)-2-oxoethyl]-methylazanium.
What is the SMILES notation for (1,3-diphenylpyrazol-4-yl)methyl-[2-(ethylcarbamoylamino)-2-oxoethyl]-methylazanium?
The canonical SMILES for (1,3-diphenylpyrazol-4-yl)methyl-[2-(ethylcarbamoylamino)-2-oxoethyl]-methylazanium is CCNC(=O)NC(=O)C[NH+](C)Cc1cn(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of (1,3-diphenylpyrazol-4-yl)methyl-[2-(ethylcarbamoylamino)-2-oxoethyl]-methylazanium?
The InChIKey is HICKNQFUKIEYKL-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H25N5O2/c1-3-23-22(29)24-20(28)16-26(2)14-18-15-27(19-12-8-5-9-13-19)25-21(18)17-10-6-4-7-11-17/h4-13,15H,3,14,16H2,1-2H3,(H2,23,24,28,29)/p+1.
What are the key properties of (1,3-diphenylpyrazol-4-yl)methyl-[2-(ethylcarbamoylamino)-2-oxoethyl]-methylazanium?
(1,3-diphenylpyrazol-4-yl)methyl-[2-(ethylcarbamoylamino)-2-oxoethyl]-methylazanium has a molecular weight of 392.48 g/mol, XLogP of 1.40, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-diphenylpyrazol-4-yl)methyl-[2-(ethylcarbamoylamino)-2-oxoethyl]-methylazanium is sourced from PubChem (CID 9437025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).