[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium

C24H29N4O+ — CID 8640348

IUPAC[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium
SMILESCc1ccc([C@@H]([NH2+]CC(=O)Nc2ccnn2C2CCCC2)c2ccccc2)cc1
InChIInChI=1S/C24H28N4O/c1-18-11-13-20(14-12-18)24(19-7-3-2-4-8-19)25-17-23(29)27-22-15-16-26-28(22)21-9-5-6-10-21/h2-4,7-8,11-16,21,24-25H,5-6,9-10,17H2,1H3,(H,27,29)/p+1/t24-/m0/s1
InChIKeyHXKDVBFYAWGTEQ-DEOSSOPVSA-O
MW389.52 g/mol
LogP3.60
Rot. Bonds7

About [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium

[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium (PubChem CID 8640348) has the molecular formula C24H29N4O+ and a molecular weight of 389.52 g/mol. Its IUPAC name is [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium.

Molecular Properties

Compound Name[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium
PubChem CID8640348
Molecular FormulaC24H29N4O+
Molecular Weight389.52 g/mol
Exact Mass389.23
IUPAC Name[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium
SMILESCc1ccc([C@@H]([NH2+]CC(=O)Nc2ccnn2C2CCCC2)c2ccccc2)cc1
InChIInChI=1S/C24H28N4O/c1-18-11-13-20(14-12-18)24(19-7-3-2-4-8-19)25-17-23(29)27-22-15-16-26-28(22)21-9-5-6-10-21/h2-4,7-8,11-16,21,24-25H,5-6,9-10,17H2,1H3,(H,27,29)/p+1/t24-/m0/s1
InChIKeyHXKDVBFYAWGTEQ-DEOSSOPVSA-O
XLogP3.60
TPSA63.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-[(S)-furan-2-yl(phenyl)methyl]azanium
CID 8755833
[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-[(R)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]azanium
CID 8998211
2-(benzhydrylamino)-N-(2-cyclopentylpyrazol-3-yl)acetamide
CID 8596124
N-(2-cyclopentylpyrazol-3-yl)-2-phenylsulfanylacetamide
CID 31235798
N-(2-cyclopentylpyrazol-3-yl)-2-[[(S)-furan-2-yl(phenyl)methyl]amino]acetamide
CID 8755834
N-(2-cyclopentylpyrazol-3-yl)-2-[[phenyl(thiophen-2-yl)methyl]amino]acetamide
CID 17462248
N-(2-cyclopentylpyrazol-3-yl)-2-(N-methylanilino)acetamide
CID 51224525
N-(2-cyclopentylpyrazol-3-yl)-2-(4-propan-2-ylphenyl)sulfanylacetamide
CID 35064432
[(R)-(4-methylphenyl)-phenylmethyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
CID 9392931
2-(benzotriazol-2-yl)-N-(2-cyclopentylpyrazol-3-yl)acetamide
CID 134702607
ethyl N-(2-cyclopentylpyrazol-3-yl)carbamate
CID 110470599
N-(2-cyclohexylpyrazol-3-yl)benzamide
CID 51145839

Frequently Asked Questions

What is the IUPAC name of [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium?
The IUPAC name of [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium (CID 8640348) is [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium.
What is the SMILES notation for [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium?
The canonical SMILES for [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium is Cc1ccc([C@@H]([NH2+]CC(=O)Nc2ccnn2C2CCCC2)c2ccccc2)cc1.
What is the InChIKey of [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium?
The InChIKey is HXKDVBFYAWGTEQ-DEOSSOPVSA-O. The full InChI is InChI=1S/C24H28N4O/c1-18-11-13-20(14-12-18)24(19-7-3-2-4-8-19)25-17-23(29)27-22-15-16-26-28(22)21-9-5-6-10-21/h2-4,7-8,11-16,21,24-25H,5-6,9-10,17H2,1H3,(H,27,29)/p+1/t24-/m0/s1.
What are the key properties of [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium?
[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium has a molecular weight of 389.52 g/mol, XLogP of 3.60, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium is sourced from PubChem (CID 8640348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).