N'-(2,5-dimethylfuran-3-carbonyl)-4-hydroxy-1-phenylpyrazole-3-carbohydrazide

C17H16N4O4 — CID 17415770

IUPACN'-(2,5-dimethylfuran-3-carbonyl)-4-hydroxy-1-phenylpyrazole-3-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)c(C)o1
InChIInChI=1S/C17H16N4O4/c1-10-8-13(11(2)25-10)16(23)18-19-17(24)15-14(22)9-21(20-15)12-6-4-3-5-7-12/h3-9,22H,1-2H3,(H,18,23)(H,19,24)
InChIKeyORTPOIYQLKDYHL-UHFFFAOYSA-N
MW340.34 g/mol
LogP1.86
Rot. Bonds3

About N'-(2,5-dimethylfuran-3-carbonyl)-4-hydroxy-1-phenylpyrazole-3-carbohydrazide

N'-(2,5-dimethylfuran-3-carbonyl)-4-hydroxy-1-phenylpyrazole-3-carbohydrazide (PubChem CID 17415770) has the molecular formula C17H16N4O4 and a molecular weight of 340.34 g/mol. Its IUPAC name is N'-(2,5-dimethylfuran-3-carbonyl)-4-hydroxy-1-phenylpyrazole-3-carbohydrazide.

Molecular Properties

Compound NameN'-(2,5-dimethylfuran-3-carbonyl)-4-hydroxy-1-phenylpyrazole-3-carbohydrazide
PubChem CID17415770
Molecular FormulaC17H16N4O4
Molecular Weight340.34 g/mol
Exact Mass340.12
IUPAC NameN'-(2,5-dimethylfuran-3-carbonyl)-4-hydroxy-1-phenylpyrazole-3-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)c(C)o1
InChIInChI=1S/C17H16N4O4/c1-10-8-13(11(2)25-10)16(23)18-19-17(24)15-14(22)9-21(20-15)12-6-4-3-5-7-12/h3-9,22H,1-2H3,(H,18,23)(H,19,24)
InChIKeyORTPOIYQLKDYHL-UHFFFAOYSA-N
XLogP1.86
TPSA109.39 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-(2,5-dimethylfuran-3-carbonyl)-3-(2-methylphenyl)-1-phenylpyrazole-4-carbohydrazide
CID 26247359
N'-(1,3-benzodioxole-5-carbonyl)-4-hydroxy-1-phenylpyrazole-3-carbohydrazide
CID 17419223
N'-benzoyl-2,5-dimethylfuran-3-carbohydrazide
CID 4808565
4-hydroxy-N'-pentanoyl-1-phenylpyrazole-3-carbohydrazide
CID 17478623
N'-(4-hydroxy-1-phenylpyrazole-3-carbonyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carbohydrazide
CID 55527463
N'-(4-hydroxy-1-phenylpyrazole-3-carbonyl)-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbohydrazide
CID 55369983
4-hydroxy-1-phenyl-N'-(thiophene-3-carbonyl)pyrazole-3-carbohydrazide
CID 9452480
N'-(2,5-dimethylfuran-3-carbonyl)-4-phenylpiperazine-1-carbohydrazide
CID 18552343
N'-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]-4-hydroxy-1-phenylpyrazole-3-carbohydrazide
CID 55370068
2,5-dimethyl-N'-(2-methylbenzoyl)furan-3-carbohydrazide
CID 7808967
N'-(4-hydroxy-1-phenylpyrazole-3-carbonyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carbohydrazide
CID 46657487
1-(3-chloro-4-methylphenyl)-3-[(4-hydroxy-1-phenylpyrazole-3-carbonyl)amino]thiourea
CID 8812973

Frequently Asked Questions

What is the IUPAC name of N'-(2,5-dimethylfuran-3-carbonyl)-4-hydroxy-1-phenylpyrazole-3-carbohydrazide?
The IUPAC name of N'-(2,5-dimethylfuran-3-carbonyl)-4-hydroxy-1-phenylpyrazole-3-carbohydrazide (CID 17415770) is N'-(2,5-dimethylfuran-3-carbonyl)-4-hydroxy-1-phenylpyrazole-3-carbohydrazide.
What is the SMILES notation for N'-(2,5-dimethylfuran-3-carbonyl)-4-hydroxy-1-phenylpyrazole-3-carbohydrazide?
The canonical SMILES for N'-(2,5-dimethylfuran-3-carbonyl)-4-hydroxy-1-phenylpyrazole-3-carbohydrazide is Cc1cc(C(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)c(C)o1.
What is the InChIKey of N'-(2,5-dimethylfuran-3-carbonyl)-4-hydroxy-1-phenylpyrazole-3-carbohydrazide?
The InChIKey is ORTPOIYQLKDYHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O4/c1-10-8-13(11(2)25-10)16(23)18-19-17(24)15-14(22)9-21(20-15)12-6-4-3-5-7-12/h3-9,22H,1-2H3,(H,18,23)(H,19,24).
What are the key properties of N'-(2,5-dimethylfuran-3-carbonyl)-4-hydroxy-1-phenylpyrazole-3-carbohydrazide?
N'-(2,5-dimethylfuran-3-carbonyl)-4-hydroxy-1-phenylpyrazole-3-carbohydrazide has a molecular weight of 340.34 g/mol, XLogP of 1.86, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,5-dimethylfuran-3-carbonyl)-4-hydroxy-1-phenylpyrazole-3-carbohydrazide is sourced from PubChem (CID 17415770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).