[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-[(2,4-dimethoxyphenyl)methyl]-methylazanium

C20H29N4O3+ — CID 8845555

IUPAC[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-[(2,4-dimethoxyphenyl)methyl]-methylazanium
SMILESCOc1ccc(C[NH+](C)CC(=O)Nc2ccnn2C2CCCC2)c(OC)c1
InChIInChI=1S/C20H28N4O3/c1-23(13-15-8-9-17(26-2)12-18(15)27-3)14-20(25)22-19-10-11-21-24(19)16-6-4-5-7-16/h8-12,16H,4-7,13-14H2,1-3H3,(H,22,25)/p+1
InChIKeyGEXJGAVSHAORPW-UHFFFAOYSA-O
MW373.48 g/mol
LogP1.67
Rot. Bonds8

About [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-[(2,4-dimethoxyphenyl)methyl]-methylazanium

[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-[(2,4-dimethoxyphenyl)methyl]-methylazanium (PubChem CID 8845555) has the molecular formula C20H29N4O3+ and a molecular weight of 373.48 g/mol. Its IUPAC name is [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-[(2,4-dimethoxyphenyl)methyl]-methylazanium.

Molecular Properties

Compound Name[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-[(2,4-dimethoxyphenyl)methyl]-methylazanium
PubChem CID8845555
Molecular FormulaC20H29N4O3+
Molecular Weight373.48 g/mol
Exact Mass373.22
IUPAC Name[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-[(2,4-dimethoxyphenyl)methyl]-methylazanium
SMILESCOc1ccc(C[NH+](C)CC(=O)Nc2ccnn2C2CCCC2)c(OC)c1
InChIInChI=1S/C20H28N4O3/c1-23(13-15-8-9-17(26-2)12-18(15)27-3)14-20(25)22-19-10-11-21-24(19)16-6-4-5-7-16/h8-12,16H,4-7,13-14H2,1-3H3,(H,22,25)/p+1
InChIKeyGEXJGAVSHAORPW-UHFFFAOYSA-O
XLogP1.67
TPSA69.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-[(2,4-dimethoxyphenyl)methyl]-methylazanium with MolForge

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Related Compounds

N-(2-cyclopentylpyrazol-3-yl)-2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]acetamide
CID 8855858
[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium
CID 8846357
[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 3-methoxybenzoate
CID 7985867
N-(2-cyclopentylpyrazol-3-yl)-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetamide
CID 86907916
N-(2-cyclopentylpyrazol-3-yl)-3,4,5-trimethoxybenzamide
CID 8781434
(2,4-dimethoxyphenyl)methyl-methyl-[2-oxo-2-(4-propan-2-ylanilino)ethyl]azanium
CID 9101248
N-(2-cyclohexylpyrazol-3-yl)-3-(2-methoxyphenoxy)propanamide
CID 78772110
(E)-N-(2-cyclopentylpyrazol-3-yl)-3-(3,5-dimethoxyphenyl)prop-2-enamide
CID 134013021
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]-[(2,4-dimethoxyphenyl)methyl]-methylazanium
CID 9101114
(2,4-dimethoxyphenyl)methyl-methyl-[2-[4-(morpholin-4-ium-4-ylmethyl)anilino]-2-oxoethyl]azanium
CID 8845878
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]-[(2,4-dimethoxyphenyl)methyl]-methylazanium
CID 9101079
[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-[(2,4-dimethoxyphenyl)methyl]-methylazanium
CID 2698955

Frequently Asked Questions

What is the IUPAC name of [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-[(2,4-dimethoxyphenyl)methyl]-methylazanium?
The IUPAC name of [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-[(2,4-dimethoxyphenyl)methyl]-methylazanium (CID 8845555) is [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-[(2,4-dimethoxyphenyl)methyl]-methylazanium.
What is the SMILES notation for [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-[(2,4-dimethoxyphenyl)methyl]-methylazanium?
The canonical SMILES for [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-[(2,4-dimethoxyphenyl)methyl]-methylazanium is COc1ccc(C[NH+](C)CC(=O)Nc2ccnn2C2CCCC2)c(OC)c1.
What is the InChIKey of [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-[(2,4-dimethoxyphenyl)methyl]-methylazanium?
The InChIKey is GEXJGAVSHAORPW-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H28N4O3/c1-23(13-15-8-9-17(26-2)12-18(15)27-3)14-20(25)22-19-10-11-21-24(19)16-6-4-5-7-16/h8-12,16H,4-7,13-14H2,1-3H3,(H,22,25)/p+1.
What are the key properties of [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-[(2,4-dimethoxyphenyl)methyl]-methylazanium?
[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-[(2,4-dimethoxyphenyl)methyl]-methylazanium has a molecular weight of 373.48 g/mol, XLogP of 1.67, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-[(2,4-dimethoxyphenyl)methyl]-methylazanium is sourced from PubChem (CID 8845555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).