[(R)-furan-2-yl(phenyl)methyl]-[(2S)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl]azanium

C20H25N4O2+ — CID 8756577

IUPAC[(R)-furan-2-yl(phenyl)methyl]-[(2S)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl]azanium
SMILESCc1nn(C)c(C)c1NC(=O)[C@H](C)[NH2+][C@H](c1ccccc1)c1ccco1
InChIInChI=1S/C20H24N4O2/c1-13-18(15(3)24(4)23-13)22-20(25)14(2)21-19(17-11-8-12-26-17)16-9-6-5-7-10-16/h5-12,14,19,21H,1-4H3,(H,22,25)/p+1/t14-,19+/m0/s1
InChIKeyKGFPHJQIYHYSEQ-IFXJQAMLSA-O
MW353.45 g/mol
LogP2.31
Rot. Bonds6

About [(R)-furan-2-yl(phenyl)methyl]-[(2S)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl]azanium

[(R)-furan-2-yl(phenyl)methyl]-[(2S)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl]azanium (PubChem CID 8756577) has the molecular formula C20H25N4O2+ and a molecular weight of 353.45 g/mol. Its IUPAC name is [(R)-furan-2-yl(phenyl)methyl]-[(2S)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl]azanium.

Molecular Properties

Compound Name[(R)-furan-2-yl(phenyl)methyl]-[(2S)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl]azanium
PubChem CID8756577
Molecular FormulaC20H25N4O2+
Molecular Weight353.45 g/mol
Exact Mass353.20
IUPAC Name[(R)-furan-2-yl(phenyl)methyl]-[(2S)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl]azanium
SMILESCc1nn(C)c(C)c1NC(=O)[C@H](C)[NH2+][C@H](c1ccccc1)c1ccco1
InChIInChI=1S/C20H24N4O2/c1-13-18(15(3)24(4)23-13)22-20(25)14(2)21-19(17-11-8-12-26-17)16-9-6-5-7-10-16/h5-12,14,19,21H,1-4H3,(H,22,25)/p+1/t14-,19+/m0/s1
InChIKeyKGFPHJQIYHYSEQ-IFXJQAMLSA-O
XLogP2.31
TPSA76.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]-[(R)-furan-2-yl(phenyl)methyl]azanium
CID 8696221
[(S)-furan-2-yl(phenyl)methyl]-[(2S)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]azanium
CID 8755387
[(S)-furan-2-yl(phenyl)methyl]-[(2R)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]azanium
CID 8755385
[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-[(S)-furan-2-yl(phenyl)methyl]azanium
CID 8755189
[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]-[(2S)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl]azanium
CID 8869706
[(1S)-1-(4-chlorophenyl)ethyl]-[(2R)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl]azanium
CID 8637678
[(S)-furan-2-yl(phenyl)methyl]-[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]azanium
CID 8755577
[(S)-furan-2-yl(phenyl)methyl]-[(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl]azanium
CID 8756395
[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl]-[(R)-furan-2-yl(phenyl)methyl]azanium
CID 8696261
[(R)-furan-2-yl(phenyl)methyl]-[(2S)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl]azanium
CID 8755457
[(2R)-1-amino-1-oxopropan-2-yl]-[(R)-furan-2-yl(phenyl)methyl]azanium
CID 8755615
[(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl]-[(S)-furan-2-yl(phenyl)methyl]azanium
CID 8755309

Frequently Asked Questions

What is the IUPAC name of [(R)-furan-2-yl(phenyl)methyl]-[(2S)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl]azanium?
The IUPAC name of [(R)-furan-2-yl(phenyl)methyl]-[(2S)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl]azanium (CID 8756577) is [(R)-furan-2-yl(phenyl)methyl]-[(2S)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl]azanium.
What is the SMILES notation for [(R)-furan-2-yl(phenyl)methyl]-[(2S)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl]azanium?
The canonical SMILES for [(R)-furan-2-yl(phenyl)methyl]-[(2S)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl]azanium is Cc1nn(C)c(C)c1NC(=O)[C@H](C)[NH2+][C@H](c1ccccc1)c1ccco1.
What is the InChIKey of [(R)-furan-2-yl(phenyl)methyl]-[(2S)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl]azanium?
The InChIKey is KGFPHJQIYHYSEQ-IFXJQAMLSA-O. The full InChI is InChI=1S/C20H24N4O2/c1-13-18(15(3)24(4)23-13)22-20(25)14(2)21-19(17-11-8-12-26-17)16-9-6-5-7-10-16/h5-12,14,19,21H,1-4H3,(H,22,25)/p+1/t14-,19+/m0/s1.
What are the key properties of [(R)-furan-2-yl(phenyl)methyl]-[(2S)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl]azanium?
[(R)-furan-2-yl(phenyl)methyl]-[(2S)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl]azanium has a molecular weight of 353.45 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(R)-furan-2-yl(phenyl)methyl]-[(2S)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl]azanium is sourced from PubChem (CID 8756577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).