5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]furan-2-carbohydrazide

C12H16N4O3 — CID 116804127

IUPAC5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]furan-2-carbohydrazide
SMILESCC(C)n1cc(OCc2ccc(C(=O)NN)o2)cn1
InChIInChI=1S/C12H16N4O3/c1-8(2)16-6-10(5-14-16)18-7-9-3-4-11(19-9)12(17)15-13/h3-6,8H,7,13H2,1-2H3,(H,15,17)
InChIKeyKKHDWIVEQBDDQL-UHFFFAOYSA-N
MW264.29 g/mol
LogP1.24
Rot. Bonds5

About 5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]furan-2-carbohydrazide

5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]furan-2-carbohydrazide (PubChem CID 116804127) has the molecular formula C12H16N4O3 and a molecular weight of 264.29 g/mol. Its IUPAC name is 5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]furan-2-carbohydrazide.

Molecular Properties

Compound Name5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]furan-2-carbohydrazide
PubChem CID116804127
Molecular FormulaC12H16N4O3
Molecular Weight264.29 g/mol
Exact Mass264.12
IUPAC Name5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]furan-2-carbohydrazide
SMILESCC(C)n1cc(OCc2ccc(C(=O)NN)o2)cn1
InChIInChI=1S/C12H16N4O3/c1-8(2)16-6-10(5-14-16)18-7-9-3-4-11(19-9)12(17)15-13/h3-6,8H,7,13H2,1-2H3,(H,15,17)
InChIKeyKKHDWIVEQBDDQL-UHFFFAOYSA-N
XLogP1.24
TPSA95.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]-1,2-oxazole-3-carbohydrazide
CID 116804129
5-[(4-ethoxyphenoxy)methyl]furan-2-carbohydrazide
CID 5104781
5-[(4-ethoxypyrazol-1-yl)methyl]furan-2-carbohydrazide
CID 114273838
5-[(3-propan-2-ylphenoxy)methyl]furan-2-carbohydrazide
CID 63577007
5-[(3,5-dimethoxyphenoxy)methyl]furan-2-carbohydrazide
CID 63570670
5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]-1,2-oxazole-3-carboxylic acid
CID 116799953
3-[[5-(hydrazinecarbonyl)furan-2-yl]methoxy]benzamide
CID 63575860
5-[(4-methylsulfonylphenoxy)methyl]furan-2-carbohydrazide
CID 63568571
4-[(4-chlorophenyl)methoxy]-1-propan-2-ylpyrazole
CID 116805404
4-phenylmethoxy-1-propan-2-ylpyrazole
CID 91900757
N-[3-[[5-(hydrazinecarbonyl)furan-2-yl]methoxy]phenyl]acetamide
CID 63574857
5-[(2-ethoxyphenoxy)methyl]furan-2-carbohydrazide
CID 7018661

Frequently Asked Questions

What is the IUPAC name of 5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]furan-2-carbohydrazide?
The IUPAC name of 5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]furan-2-carbohydrazide (CID 116804127) is 5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]furan-2-carbohydrazide.
What is the SMILES notation for 5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]furan-2-carbohydrazide?
The canonical SMILES for 5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]furan-2-carbohydrazide is CC(C)n1cc(OCc2ccc(C(=O)NN)o2)cn1.
What is the InChIKey of 5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]furan-2-carbohydrazide?
The InChIKey is KKHDWIVEQBDDQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c1-8(2)16-6-10(5-14-16)18-7-9-3-4-11(19-9)12(17)15-13/h3-6,8H,7,13H2,1-2H3,(H,15,17).
What are the key properties of 5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]furan-2-carbohydrazide?
5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]furan-2-carbohydrazide has a molecular weight of 264.29 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]furan-2-carbohydrazide is sourced from PubChem (CID 116804127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).