[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-[(R)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]azanium

C24H31N4OS+ — CID 8998211

IUPAC[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-[(R)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]azanium
SMILESCC(C)c1ccc([C@@H]([NH2+]CC(=O)Nc2ccnn2C2CCCC2)c2cccs2)cc1
InChIInChI=1S/C24H30N4OS/c1-17(2)18-9-11-19(12-10-18)24(21-8-5-15-30-21)25-16-23(29)27-22-13-14-26-28(22)20-6-3-4-7-20/h5,8-15,17,20,24-25H,3-4,6-7,16H2,1-2H3,(H,27,29)/p+1/t24-/m1/s1
InChIKeyDKSMITHHYPTPGE-XMMPIXPASA-O
MW423.61 g/mol
LogP4.47
Rot. Bonds8

About [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-[(R)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]azanium

[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-[(R)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]azanium (PubChem CID 8998211) has the molecular formula C24H31N4OS+ and a molecular weight of 423.61 g/mol. Its IUPAC name is [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-[(R)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]azanium.

Molecular Properties

Compound Name[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-[(R)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]azanium
PubChem CID8998211
Molecular FormulaC24H31N4OS+
Molecular Weight423.61 g/mol
Exact Mass423.22
IUPAC Name[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-[(R)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]azanium
SMILESCC(C)c1ccc([C@@H]([NH2+]CC(=O)Nc2ccnn2C2CCCC2)c2cccs2)cc1
InChIInChI=1S/C24H30N4OS/c1-17(2)18-9-11-19(12-10-18)24(21-8-5-15-30-21)25-16-23(29)27-22-13-14-26-28(22)20-6-3-4-7-20/h5,8-15,17,20,24-25H,3-4,6-7,16H2,1-2H3,(H,27,29)/p+1/t24-/m1/s1
InChIKeyDKSMITHHYPTPGE-XMMPIXPASA-O
XLogP4.47
TPSA63.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.61
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium
CID 8640348
[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-[(S)-furan-2-yl(phenyl)methyl]azanium
CID 8755833
N-(2-cyclopentylpyrazol-3-yl)-2-(4-propan-2-ylphenyl)sulfanylacetamide
CID 35064432
N-(2-cyclopentylpyrazol-3-yl)-2-[[phenyl(thiophen-2-yl)methyl]amino]acetamide
CID 17462248
[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 2-(4-propan-2-ylphenoxy)acetate
CID 8598589
[2-(methoxycarbonylamino)-2-oxoethyl]-[(S)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]azanium
CID 8998234
[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]-[(R)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]azanium
CID 8998302
N-(2-cyclohexylpyrazol-3-yl)-2-(4-methyl-3-thiophen-2-ylpyrazol-1-yl)acetamide
CID 46994696
N-(2-cyclopentylpyrazol-3-yl)-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 8659076
[2-(3,4-dimethoxyanilino)-2-oxoethyl]-[(R)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]azanium
CID 8997999
2-(4-chlorophenyl)sulfanyl-N-(2-cyclopentylpyrazol-3-yl)acetamide
CID 7816349
[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]-[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]azanium
CID 11935889

Frequently Asked Questions

What is the IUPAC name of [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-[(R)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]azanium?
The IUPAC name of [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-[(R)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]azanium (CID 8998211) is [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-[(R)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]azanium.
What is the SMILES notation for [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-[(R)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]azanium?
The canonical SMILES for [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-[(R)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]azanium is CC(C)c1ccc([C@@H]([NH2+]CC(=O)Nc2ccnn2C2CCCC2)c2cccs2)cc1.
What is the InChIKey of [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-[(R)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]azanium?
The InChIKey is DKSMITHHYPTPGE-XMMPIXPASA-O. The full InChI is InChI=1S/C24H30N4OS/c1-17(2)18-9-11-19(12-10-18)24(21-8-5-15-30-21)25-16-23(29)27-22-13-14-26-28(22)20-6-3-4-7-20/h5,8-15,17,20,24-25H,3-4,6-7,16H2,1-2H3,(H,27,29)/p+1/t24-/m1/s1.
What are the key properties of [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-[(R)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]azanium?
[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-[(R)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]azanium has a molecular weight of 423.61 g/mol, XLogP of 4.47, 8 rotatable bonds, 2 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]-[(R)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]azanium is sourced from PubChem (CID 8998211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).