N-[(1S)-2-amino-2-oxo-1-phenylethyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide

C17H16N4O3 — CID 95593404

IUPACN-[(1S)-2-amino-2-oxo-1-phenylethyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
SMILESNC(=O)[C@@H](NC(=O)c1ccc(Cn2cccn2)o1)c1ccccc1
InChIInChI=1S/C17H16N4O3/c18-16(22)15(12-5-2-1-3-6-12)20-17(23)14-8-7-13(24-14)11-21-10-4-9-19-21/h1-10,15H,11H2,(H2,18,22)(H,20,23)/t15-/m0/s1
InChIKeyPFJVVWTZMLQMLJ-HNNXBMFYSA-N
MW324.34 g/mol
LogP1.48
Rot. Bonds6

About N-[(1S)-2-amino-2-oxo-1-phenylethyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide

N-[(1S)-2-amino-2-oxo-1-phenylethyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide (PubChem CID 95593404) has the molecular formula C17H16N4O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is N-[(1S)-2-amino-2-oxo-1-phenylethyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-2-amino-2-oxo-1-phenylethyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
PubChem CID95593404
Molecular FormulaC17H16N4O3
Molecular Weight324.34 g/mol
Exact Mass324.12
IUPAC NameN-[(1S)-2-amino-2-oxo-1-phenylethyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
SMILESNC(=O)[C@@H](NC(=O)c1ccc(Cn2cccn2)o1)c1ccccc1
InChIInChI=1S/C17H16N4O3/c18-16(22)15(12-5-2-1-3-6-12)20-17(23)14-8-7-13(24-14)11-21-10-4-9-19-21/h1-10,15H,11H2,(H2,18,22)(H,20,23)/t15-/m0/s1
InChIKeyPFJVVWTZMLQMLJ-HNNXBMFYSA-N
XLogP1.48
TPSA103.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]propanoic acid
CID 43355239
N-(1,3-dihydroxypropan-2-yl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 65314941
3-hydroxy-2-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]propanoic acid
CID 43357614
N-(3-amino-2-hydroxy-3-oxopropyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 106166308
N-(2-amino-2-oxo-1-phenylethyl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 55618550
(2S)-2-phenyl-2-[[4-(pyrazol-1-ylmethyl)phenyl]methylamino]acetamide
CID 94562119
N-[1-(2-bromophenyl)ethyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 42959133
N-ethoxy-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 60756494
N-butyl-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 19463195
(2R)-2-[(5-ethylfuran-2-carbonyl)amino]-2-phenylacetic acid
CID 61143786
N-(1-phenylcyclopentyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 95379084
N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 110281615

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-amino-2-oxo-1-phenylethyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide?
The IUPAC name of N-[(1S)-2-amino-2-oxo-1-phenylethyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide (CID 95593404) is N-[(1S)-2-amino-2-oxo-1-phenylethyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for N-[(1S)-2-amino-2-oxo-1-phenylethyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide?
The canonical SMILES for N-[(1S)-2-amino-2-oxo-1-phenylethyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide is NC(=O)[C@@H](NC(=O)c1ccc(Cn2cccn2)o1)c1ccccc1.
What is the InChIKey of N-[(1S)-2-amino-2-oxo-1-phenylethyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide?
The InChIKey is PFJVVWTZMLQMLJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H16N4O3/c18-16(22)15(12-5-2-1-3-6-12)20-17(23)14-8-7-13(24-14)11-21-10-4-9-19-21/h1-10,15H,11H2,(H2,18,22)(H,20,23)/t15-/m0/s1.
What are the key properties of N-[(1S)-2-amino-2-oxo-1-phenylethyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide?
N-[(1S)-2-amino-2-oxo-1-phenylethyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide has a molecular weight of 324.34 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-amino-2-oxo-1-phenylethyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 95593404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).