[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-ethyl-[2-(ethylamino)-2-oxoethyl]azanium

C16H28N5O2+ — CID 8683008

IUPAC[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-ethyl-[2-(ethylamino)-2-oxoethyl]azanium
SMILESCCNC(=O)C[NH+](CC)CC(=O)Nc1ccnn1C1CCCC1
InChIInChI=1S/C16H27N5O2/c1-3-17-15(22)11-20(4-2)12-16(23)19-14-9-10-18-21(14)13-7-5-6-8-13/h9-10,13H,3-8,11-12H2,1-2H3,(H,17,22)(H,19,23)/p+1
InChIKeyMIBLZPDJJCTJRF-UHFFFAOYSA-O
MW322.43 g/mol
LogP-0.02
Rot. Bonds8

About [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-ethyl-[2-(ethylamino)-2-oxoethyl]azanium

[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-ethyl-[2-(ethylamino)-2-oxoethyl]azanium (PubChem CID 8683008) has the molecular formula C16H28N5O2+ and a molecular weight of 322.43 g/mol. Its IUPAC name is [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-ethyl-[2-(ethylamino)-2-oxoethyl]azanium.

Molecular Properties

Compound Name[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-ethyl-[2-(ethylamino)-2-oxoethyl]azanium
PubChem CID8683008
Molecular FormulaC16H28N5O2+
Molecular Weight322.43 g/mol
Exact Mass322.22
IUPAC Name[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-ethyl-[2-(ethylamino)-2-oxoethyl]azanium
SMILESCCNC(=O)C[NH+](CC)CC(=O)Nc1ccnn1C1CCCC1
InChIInChI=1S/C16H27N5O2/c1-3-17-15(22)11-20(4-2)12-16(23)19-14-9-10-18-21(14)13-7-5-6-8-13/h9-10,13H,3-8,11-12H2,1-2H3,(H,17,22)(H,19,23)/p+1
InChIKeyMIBLZPDJJCTJRF-UHFFFAOYSA-O
XLogP-0.02
TPSA80.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-ethylamino]-N-ethylacetamide
CID 8683009
ethyl N-(2-cyclopentylpyrazol-3-yl)carbamate
CID 110470599
2-chloro-N-(2-cyclobutylpyrazol-3-yl)acetamide
CID 166407634
2-cyano-N-(2-cyclopentylpyrazol-3-yl)acetamide
CID 110470108
(5-chlorothiophen-2-yl)methyl-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-methylazanium
CID 8787097
[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium
CID 8846357
N-(2-cyclopentylpyrazol-3-yl)-2-(2,6-dimethylmorpholin-4-yl)acetamide
CID 46613977
N-(2-cyclopentylpyrazol-3-yl)-2-phenylsulfanylacetamide
CID 31235798
N-(2-cyclopentylpyrazol-3-yl)-2-(N-methylanilino)acetamide
CID 51224525
N-(2-cyclopentylpyrazol-3-yl)-2-(4-ethoxyanilino)acetamide
CID 78815624
2-(benzotriazol-2-yl)-N-(2-cyclopentylpyrazol-3-yl)acetamide
CID 134702607
N-(2-cyclohexylpyrazol-3-yl)-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetamide
CID 78772114

Frequently Asked Questions

What is the IUPAC name of [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-ethyl-[2-(ethylamino)-2-oxoethyl]azanium?
The IUPAC name of [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-ethyl-[2-(ethylamino)-2-oxoethyl]azanium (CID 8683008) is [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-ethyl-[2-(ethylamino)-2-oxoethyl]azanium.
What is the SMILES notation for [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-ethyl-[2-(ethylamino)-2-oxoethyl]azanium?
The canonical SMILES for [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-ethyl-[2-(ethylamino)-2-oxoethyl]azanium is CCNC(=O)C[NH+](CC)CC(=O)Nc1ccnn1C1CCCC1.
What is the InChIKey of [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-ethyl-[2-(ethylamino)-2-oxoethyl]azanium?
The InChIKey is MIBLZPDJJCTJRF-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H27N5O2/c1-3-17-15(22)11-20(4-2)12-16(23)19-14-9-10-18-21(14)13-7-5-6-8-13/h9-10,13H,3-8,11-12H2,1-2H3,(H,17,22)(H,19,23)/p+1.
What are the key properties of [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-ethyl-[2-(ethylamino)-2-oxoethyl]azanium?
[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-ethyl-[2-(ethylamino)-2-oxoethyl]azanium has a molecular weight of 322.43 g/mol, XLogP of -0.02, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-ethyl-[2-(ethylamino)-2-oxoethyl]azanium is sourced from PubChem (CID 8683008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).