5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]furan-3-carbohydrazide

C12H16N4O3 — CID 116804146

IUPAC5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]furan-3-carbohydrazide
SMILESCC(C)n1cc(OCc2cc(C(=O)NN)co2)cn1
InChIInChI=1S/C12H16N4O3/c1-8(2)16-5-11(4-14-16)19-7-10-3-9(6-18-10)12(17)15-13/h3-6,8H,7,13H2,1-2H3,(H,15,17)
InChIKeyPHBDGMWWGSYAFD-UHFFFAOYSA-N
MW264.29 g/mol
LogP1.24
Rot. Bonds5

About 5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]furan-3-carbohydrazide

5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]furan-3-carbohydrazide (PubChem CID 116804146) 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-3-carbohydrazide.

Molecular Properties

Compound Name5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]furan-3-carbohydrazide
PubChem CID116804146
Molecular FormulaC12H16N4O3
Molecular Weight264.29 g/mol
Exact Mass264.12
IUPAC Name5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]furan-3-carbohydrazide
SMILESCC(C)n1cc(OCc2cc(C(=O)NN)co2)cn1
InChIInChI=1S/C12H16N4O3/c1-8(2)16-5-11(4-14-16)19-7-10-3-9(6-18-10)12(17)15-13/h3-6,8H,7,13H2,1-2H3,(H,15,17)
InChIKeyPHBDGMWWGSYAFD-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-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]furan-2-carbohydrazide
CID 116804127
5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]-1,2-oxazole-3-carboxylic acid
CID 116799953
5-(propan-2-yloxymethyl)furan-3-carbohydrazide
CID 63574391
5-[(3-methylphenoxy)methyl]furan-3-carbohydrazide
CID 63576172
5-[(3-cyano-5-methoxyphenoxy)methyl]furan-3-carbohydrazide
CID 103568335
5-[(3-fluoro-4-methylphenoxy)methyl]furan-3-carbohydrazide
CID 107171042
[2-methyl-5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]furan-3-yl]methanamine
CID 116803596
5-[(3-bromo-4-fluorophenoxy)methyl]furan-3-carbohydrazide
CID 83234772
5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-3-carbohydrazide
CID 103290412
5-[(2,4,6-trichlorophenoxy)methyl]furan-3-carbohydrazide
CID 63575773
N-propan-2-yl-2-(1-propan-2-ylpyrazol-4-yl)oxyacetamide
CID 116805305

Frequently Asked Questions

What is the IUPAC name of 5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]furan-3-carbohydrazide?
The IUPAC name of 5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]furan-3-carbohydrazide (CID 116804146) is 5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]furan-3-carbohydrazide.
What is the SMILES notation for 5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]furan-3-carbohydrazide?
The canonical SMILES for 5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]furan-3-carbohydrazide is CC(C)n1cc(OCc2cc(C(=O)NN)co2)cn1.
What is the InChIKey of 5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]furan-3-carbohydrazide?
The InChIKey is PHBDGMWWGSYAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c1-8(2)16-5-11(4-14-16)19-7-10-3-9(6-18-10)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-3-carbohydrazide?
5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]furan-3-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-3-carbohydrazide is sourced from PubChem (CID 116804146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).