N-[1-[2-(4-hydroxy-1-phenylpyrazole-3-carbonyl)hydrazinyl]-1-oxopropan-2-yl]furan-3-carboxamide

C18H17N5O5 — CID 55822486

IUPACN-[1-[2-(4-hydroxy-1-phenylpyrazole-3-carbonyl)hydrazinyl]-1-oxopropan-2-yl]furan-3-carboxamide
SMILESCC(NC(=O)c1ccoc1)C(=O)NNC(=O)c1nn(-c2ccccc2)cc1O
InChIInChI=1S/C18H17N5O5/c1-11(19-17(26)12-7-8-28-10-12)16(25)20-21-18(27)15-14(24)9-23(22-15)13-5-3-2-4-6-13/h2-11,24H,1H3,(H,19,26)(H,20,25)(H,21,27)
InChIKeyHDLRMHZYJBXYOH-UHFFFAOYSA-N
MW383.36 g/mol
LogP0.75
Rot. Bonds5

About N-[1-[2-(4-hydroxy-1-phenylpyrazole-3-carbonyl)hydrazinyl]-1-oxopropan-2-yl]furan-3-carboxamide

N-[1-[2-(4-hydroxy-1-phenylpyrazole-3-carbonyl)hydrazinyl]-1-oxopropan-2-yl]furan-3-carboxamide (PubChem CID 55822486) has the molecular formula C18H17N5O5 and a molecular weight of 383.36 g/mol. Its IUPAC name is N-[1-[2-(4-hydroxy-1-phenylpyrazole-3-carbonyl)hydrazinyl]-1-oxopropan-2-yl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(4-hydroxy-1-phenylpyrazole-3-carbonyl)hydrazinyl]-1-oxopropan-2-yl]furan-3-carboxamide
PubChem CID55822486
Molecular FormulaC18H17N5O5
Molecular Weight383.36 g/mol
Exact Mass383.12
IUPAC NameN-[1-[2-(4-hydroxy-1-phenylpyrazole-3-carbonyl)hydrazinyl]-1-oxopropan-2-yl]furan-3-carboxamide
SMILESCC(NC(=O)c1ccoc1)C(=O)NNC(=O)c1nn(-c2ccccc2)cc1O
InChIInChI=1S/C18H17N5O5/c1-11(19-17(26)12-7-8-28-10-12)16(25)20-21-18(27)15-14(24)9-23(22-15)13-5-3-2-4-6-13/h2-11,24H,1H3,(H,19,26)(H,20,25)(H,21,27)
InChIKeyHDLRMHZYJBXYOH-UHFFFAOYSA-N
XLogP0.75
TPSA138.49 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.36
LogP ≤ 50.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-hydroxy-1-phenyl-N'-(thiophene-3-carbonyl)pyrazole-3-carbohydrazide
CID 9452480
N'-(2,5-dimethylfuran-3-carbonyl)-4-hydroxy-1-phenylpyrazole-3-carbohydrazide
CID 17415770
4-hydroxy-N'-pentanoyl-1-phenylpyrazole-3-carbohydrazide
CID 17478623
N'-(1,3-benzodioxole-5-carbonyl)-4-hydroxy-1-phenylpyrazole-3-carbohydrazide
CID 17419223
N-[furan-2-yl(phenyl)methyl]-4-hydroxy-1-phenylpyrazole-3-carboxamide
CID 112798255
N-[(2S)-1-oxo-1-[[(3R)-2-oxo-1-phenylazetidin-3-yl]amino]propan-2-yl]furan-3-carboxamide
CID 97349458
(2S)-2-[2-(furan-3-carbonylamino)propanoylamino]-3-methylbutanoic acid
CID 119359772
N-(3-oxobutan-2-yl)furan-3-carboxamide
CID 64997031
N-[1-oxo-1-(3-phenylbutylamino)propan-2-yl]furan-3-carboxamide
CID 51103926
N-[1-[(2-amino-2-phenylethyl)amino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 119527496
N-[3-[[(4-hydroxy-1-phenylpyrazole-3-carbonyl)amino]carbamoyl]phenyl]methanesulfonamide
CID 46657379
4-hydroxy-1-phenyl-N-(propan-2-ylideneamino)pyrazole-3-carboxamide
CID 71898477

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-hydroxy-1-phenylpyrazole-3-carbonyl)hydrazinyl]-1-oxopropan-2-yl]furan-3-carboxamide?
The IUPAC name of N-[1-[2-(4-hydroxy-1-phenylpyrazole-3-carbonyl)hydrazinyl]-1-oxopropan-2-yl]furan-3-carboxamide (CID 55822486) is N-[1-[2-(4-hydroxy-1-phenylpyrazole-3-carbonyl)hydrazinyl]-1-oxopropan-2-yl]furan-3-carboxamide.
What is the SMILES notation for N-[1-[2-(4-hydroxy-1-phenylpyrazole-3-carbonyl)hydrazinyl]-1-oxopropan-2-yl]furan-3-carboxamide?
The canonical SMILES for N-[1-[2-(4-hydroxy-1-phenylpyrazole-3-carbonyl)hydrazinyl]-1-oxopropan-2-yl]furan-3-carboxamide is CC(NC(=O)c1ccoc1)C(=O)NNC(=O)c1nn(-c2ccccc2)cc1O.
What is the InChIKey of N-[1-[2-(4-hydroxy-1-phenylpyrazole-3-carbonyl)hydrazinyl]-1-oxopropan-2-yl]furan-3-carboxamide?
The InChIKey is HDLRMHZYJBXYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O5/c1-11(19-17(26)12-7-8-28-10-12)16(25)20-21-18(27)15-14(24)9-23(22-15)13-5-3-2-4-6-13/h2-11,24H,1H3,(H,19,26)(H,20,25)(H,21,27).
What are the key properties of N-[1-[2-(4-hydroxy-1-phenylpyrazole-3-carbonyl)hydrazinyl]-1-oxopropan-2-yl]furan-3-carboxamide?
N-[1-[2-(4-hydroxy-1-phenylpyrazole-3-carbonyl)hydrazinyl]-1-oxopropan-2-yl]furan-3-carboxamide has a molecular weight of 383.36 g/mol, XLogP of 0.75, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-hydroxy-1-phenylpyrazole-3-carbonyl)hydrazinyl]-1-oxopropan-2-yl]furan-3-carboxamide is sourced from PubChem (CID 55822486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).