5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]furan-3-carbohydrazide

C13H18N4O2 — CID 63579621

IUPAC5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]furan-3-carbohydrazide
SMILESCCc1c(C)nn(Cc2cc(C(=O)NN)co2)c1C
InChIInChI=1S/C13H18N4O2/c1-4-12-8(2)16-17(9(12)3)6-11-5-10(7-19-11)13(18)15-14/h5,7H,4,6,14H2,1-3H3,(H,15,18)
InChIKeyORVAAJMGTQOJLG-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.31
Rot. Bonds4

About 5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]furan-3-carbohydrazide

5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]furan-3-carbohydrazide (PubChem CID 63579621) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]furan-3-carbohydrazide.

Molecular Properties

Compound Name5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]furan-3-carbohydrazide
PubChem CID63579621
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]furan-3-carbohydrazide
SMILESCCc1c(C)nn(Cc2cc(C(=O)NN)co2)c1C
InChIInChI=1S/C13H18N4O2/c1-4-12-8(2)16-17(9(12)3)6-11-5-10(7-19-11)13(18)15-14/h5,7H,4,6,14H2,1-3H3,(H,15,18)
InChIKeyORVAAJMGTQOJLG-UHFFFAOYSA-N
XLogP1.31
TPSA86.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

3-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-4-fluorobenzohydrazide
CID 107458941
5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-3-methylfuran-2-carboxylic acid
CID 61238146
N-[[5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 62440795
5-[(3-methyl-2-oxo-1-pyridinyl)methyl]furan-3-carbohydrazide
CID 63579417
5-[(2-propan-2-ylimidazol-1-yl)methyl]furan-3-carbohydrazide
CID 63579908
5-[(4,4-dimethyl-2,6-dioxopiperidin-1-yl)methyl]furan-3-carbohydrazide
CID 63581288
5-[(2-oxoazepan-1-yl)methyl]furan-3-carbohydrazide
CID 63577370
5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-3-methylfuran-2-carbohydrazide
CID 63577257
5-(2-ethoxyethoxymethyl)furan-3-carbohydrazide
CID 63588537
4-[(3,4,5-trimethylpyrazol-1-yl)methyl]benzohydrazide
CID 55214651
ethyl 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetate
CID 50888392
N-[[5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-3-methylfuran-2-yl]methyl]propan-1-amine
CID 62440418

Frequently Asked Questions

What is the IUPAC name of 5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]furan-3-carbohydrazide?
The IUPAC name of 5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]furan-3-carbohydrazide (CID 63579621) is 5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]furan-3-carbohydrazide.
What is the SMILES notation for 5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]furan-3-carbohydrazide?
The canonical SMILES for 5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]furan-3-carbohydrazide is CCc1c(C)nn(Cc2cc(C(=O)NN)co2)c1C.
What is the InChIKey of 5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]furan-3-carbohydrazide?
The InChIKey is ORVAAJMGTQOJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-4-12-8(2)16-17(9(12)3)6-11-5-10(7-19-11)13(18)15-14/h5,7H,4,6,14H2,1-3H3,(H,15,18).
What are the key properties of 5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]furan-3-carbohydrazide?
5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]furan-3-carbohydrazide has a molecular weight of 262.31 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]furan-3-carbohydrazide is sourced from PubChem (CID 63579621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).