2-[(3,5-diethylpyrazol-1-yl)methyl]furan-3-carbohydrazide

C13H18N4O2 — CID 82699946

IUPAC2-[(3,5-diethylpyrazol-1-yl)methyl]furan-3-carbohydrazide
SMILESCCc1cc(CC)n(Cc2occc2C(=O)NN)n1
InChIInChI=1S/C13H18N4O2/c1-3-9-7-10(4-2)17(16-9)8-12-11(5-6-19-12)13(18)15-14/h5-7H,3-4,8,14H2,1-2H3,(H,15,18)
InChIKeyKBTQWPRPNULROF-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.25
Rot. Bonds5

About 2-[(3,5-diethylpyrazol-1-yl)methyl]furan-3-carbohydrazide

2-[(3,5-diethylpyrazol-1-yl)methyl]furan-3-carbohydrazide (PubChem CID 82699946) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-[(3,5-diethylpyrazol-1-yl)methyl]furan-3-carbohydrazide.

Molecular Properties

Compound Name2-[(3,5-diethylpyrazol-1-yl)methyl]furan-3-carbohydrazide
PubChem CID82699946
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name2-[(3,5-diethylpyrazol-1-yl)methyl]furan-3-carbohydrazide
SMILESCCc1cc(CC)n(Cc2occc2C(=O)NN)n1
InChIInChI=1S/C13H18N4O2/c1-3-9-7-10(4-2)17(16-9)8-12-11(5-6-19-12)13(18)15-14/h5-7H,3-4,8,14H2,1-2H3,(H,15,18)
InChIKeyKBTQWPRPNULROF-UHFFFAOYSA-N
XLogP1.25
TPSA86.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.25
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

5-[(3,5-diethylpyrazol-1-yl)methyl]-2-methylfuran-3-carbohydrazide
CID 82699513
2-(diethylaminomethyl)furan-3-carbohydrazide
CID 63570482
2-[(4-ethylpiperazin-1-yl)methyl]furan-3-carbohydrazide
CID 63569726
2-[(3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)methyl]furan-3-carbohydrazide
CID 66273065
2-[[3-(diethylamino)pyrrolidin-1-yl]methyl]furan-3-carbohydrazide
CID 63584457
1-[(1,3-diethylpyrazol-5-yl)methyl]-3,5-diethylpyrazole
CID 82699372
ethyl 3-(3,5-diethylpyrazol-1-yl)propanoate
CID 82693116
2-[(4,4-dimethyl-2,6-dioxopiperidin-1-yl)methyl]furan-3-carbohydrazide
CID 63581105
2-[(4-ethoxypiperidin-1-yl)methyl]furan-3-carbohydrazide
CID 63572841
2-[4-[(3,5-diethylpyrazol-1-yl)methyl]phenyl]acetic acid
CID 105345519
2-[(3-methyl-2-oxo-1-pyridinyl)methyl]furan-3-carbohydrazide
CID 55249877
2-[(2-oxoazepan-1-yl)methyl]furan-3-carbohydrazide
CID 63579888

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-diethylpyrazol-1-yl)methyl]furan-3-carbohydrazide?
The IUPAC name of 2-[(3,5-diethylpyrazol-1-yl)methyl]furan-3-carbohydrazide (CID 82699946) is 2-[(3,5-diethylpyrazol-1-yl)methyl]furan-3-carbohydrazide.
What is the SMILES notation for 2-[(3,5-diethylpyrazol-1-yl)methyl]furan-3-carbohydrazide?
The canonical SMILES for 2-[(3,5-diethylpyrazol-1-yl)methyl]furan-3-carbohydrazide is CCc1cc(CC)n(Cc2occc2C(=O)NN)n1.
What is the InChIKey of 2-[(3,5-diethylpyrazol-1-yl)methyl]furan-3-carbohydrazide?
The InChIKey is KBTQWPRPNULROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-3-9-7-10(4-2)17(16-9)8-12-11(5-6-19-12)13(18)15-14/h5-7H,3-4,8,14H2,1-2H3,(H,15,18).
What are the key properties of 2-[(3,5-diethylpyrazol-1-yl)methyl]furan-3-carbohydrazide?
2-[(3,5-diethylpyrazol-1-yl)methyl]furan-3-carbohydrazide has a molecular weight of 262.31 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-diethylpyrazol-1-yl)methyl]furan-3-carbohydrazide is sourced from PubChem (CID 82699946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).