[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-[(S)-furan-2-yl(phenyl)methyl]azanium

C21H25N4O2+ — CID 8755833

IUPAC[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-[(S)-furan-2-yl(phenyl)methyl]azanium
SMILESO=C(C[NH2+][C@@H](c1ccccc1)c1ccco1)Nc1ccnn1C1CCCC1
InChIInChI=1S/C21H24N4O2/c26-20(24-19-12-13-23-25(19)17-9-4-5-10-17)15-22-21(18-11-6-14-27-18)16-7-2-1-3-8-16/h1-3,6-8,11-14,17,21-22H,4-5,9-10,15H2,(H,24,26)/p+1/t21-/m0/s1
InChIKeyNHUZLXOHWATCAJ-NRFANRHFSA-O
MW365.46 g/mol
LogP2.88
Rot. Bonds7

About [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-[(S)-furan-2-yl(phenyl)methyl]azanium

[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-[(S)-furan-2-yl(phenyl)methyl]azanium (PubChem CID 8755833) has the molecular formula C21H25N4O2+ and a molecular weight of 365.46 g/mol. Its IUPAC name is [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-[(S)-furan-2-yl(phenyl)methyl]azanium.

Molecular Properties

Compound Name[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-[(S)-furan-2-yl(phenyl)methyl]azanium
PubChem CID8755833
Molecular FormulaC21H25N4O2+
Molecular Weight365.46 g/mol
Exact Mass365.20
IUPAC Name[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-[(S)-furan-2-yl(phenyl)methyl]azanium
SMILESO=C(C[NH2+][C@@H](c1ccccc1)c1ccco1)Nc1ccnn1C1CCCC1
InChIInChI=1S/C21H24N4O2/c26-20(24-19-12-13-23-25(19)17-9-4-5-10-17)15-22-21(18-11-6-14-27-18)16-7-2-1-3-8-16/h1-3,6-8,11-14,17,21-22H,4-5,9-10,15H2,(H,24,26)/p+1/t21-/m0/s1
InChIKeyNHUZLXOHWATCAJ-NRFANRHFSA-O
XLogP2.88
TPSA76.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 52.88
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
N-(2-cyclopentylpyrazol-3-yl)-2-[[(S)-furan-2-yl(phenyl)methyl]amino]acetamide
CID 8755834
N-(2-cyclopentylpyrazol-3-yl)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetamide
CID 8920834
[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
[2-(cyclohexylcarbamoylamino)-2-oxoethyl]-[(S)-furan-2-yl(phenyl)methyl]azanium
CID 8755215
1-(2-cyclohexylpyrazol-3-yl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110896237
1-(2-cyclohexylpyrazol-3-yl)-3-[(2S,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]urea
CID 97086737
[2-(2,6-dichloroanilino)-2-oxoethyl]-[(R)-furan-2-yl(phenyl)methyl]azanium
CID 8696127
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

Frequently Asked Questions

What is the IUPAC name of [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-[(S)-furan-2-yl(phenyl)methyl]azanium?
The IUPAC name of [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-[(S)-furan-2-yl(phenyl)methyl]azanium (CID 8755833) is [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-[(S)-furan-2-yl(phenyl)methyl]azanium.
What is the SMILES notation for [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-[(S)-furan-2-yl(phenyl)methyl]azanium?
The canonical SMILES for [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-[(S)-furan-2-yl(phenyl)methyl]azanium is O=C(C[NH2+][C@@H](c1ccccc1)c1ccco1)Nc1ccnn1C1CCCC1.
What is the InChIKey of [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-[(S)-furan-2-yl(phenyl)methyl]azanium?
The InChIKey is NHUZLXOHWATCAJ-NRFANRHFSA-O. The full InChI is InChI=1S/C21H24N4O2/c26-20(24-19-12-13-23-25(19)17-9-4-5-10-17)15-22-21(18-11-6-14-27-18)16-7-2-1-3-8-16/h1-3,6-8,11-14,17,21-22H,4-5,9-10,15H2,(H,24,26)/p+1/t21-/m0/s1.
What are the key properties of [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-[(S)-furan-2-yl(phenyl)methyl]azanium?
[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-[(S)-furan-2-yl(phenyl)methyl]azanium has a molecular weight of 365.46 g/mol, XLogP of 2.88, 7 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]-[(S)-furan-2-yl(phenyl)methyl]azanium is sourced from PubChem (CID 8755833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).