N'-(4-ethylcyclohexanecarbonyl)-5-(furan-2-yl)-1H-pyrazole-3-carbohydrazide

C17H22N4O3 — CID 3417519

IUPACN'-(4-ethylcyclohexanecarbonyl)-5-(furan-2-yl)-1H-pyrazole-3-carbohydrazide
SMILESCCC1CCC(C(=O)NNC(=O)c2cc(-c3ccco3)[nH]n2)CC1
InChIInChI=1S/C17H22N4O3/c1-2-11-5-7-12(8-6-11)16(22)20-21-17(23)14-10-13(18-19-14)15-4-3-9-24-15/h3-4,9-12H,2,5-8H2,1H3,(H,18,19)(H,20,22)(H,21,23)
InChIKeyABIBXAMAEJYHJG-UHFFFAOYSA-N
MW330.39 g/mol
LogP2.65
Rot. Bonds4

About N'-(4-ethylcyclohexanecarbonyl)-5-(furan-2-yl)-1H-pyrazole-3-carbohydrazide

N'-(4-ethylcyclohexanecarbonyl)-5-(furan-2-yl)-1H-pyrazole-3-carbohydrazide (PubChem CID 3417519) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is N'-(4-ethylcyclohexanecarbonyl)-5-(furan-2-yl)-1H-pyrazole-3-carbohydrazide.

Molecular Properties

Compound NameN'-(4-ethylcyclohexanecarbonyl)-5-(furan-2-yl)-1H-pyrazole-3-carbohydrazide
PubChem CID3417519
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC NameN'-(4-ethylcyclohexanecarbonyl)-5-(furan-2-yl)-1H-pyrazole-3-carbohydrazide
SMILESCCC1CCC(C(=O)NNC(=O)c2cc(-c3ccco3)[nH]n2)CC1
InChIInChI=1S/C17H22N4O3/c1-2-11-5-7-12(8-6-11)16(22)20-21-17(23)14-10-13(18-19-14)15-4-3-9-24-15/h3-4,9-12H,2,5-8H2,1H3,(H,18,19)(H,20,22)(H,21,23)
InChIKeyABIBXAMAEJYHJG-UHFFFAOYSA-N
XLogP2.65
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(4-ethylcyclohexanecarbonyl)-5-(furan-2-yl)-1H-pyrazole-3-carbohydrazide?
The IUPAC name of N'-(4-ethylcyclohexanecarbonyl)-5-(furan-2-yl)-1H-pyrazole-3-carbohydrazide (CID 3417519) is N'-(4-ethylcyclohexanecarbonyl)-5-(furan-2-yl)-1H-pyrazole-3-carbohydrazide.
What is the SMILES notation for N'-(4-ethylcyclohexanecarbonyl)-5-(furan-2-yl)-1H-pyrazole-3-carbohydrazide?
The canonical SMILES for N'-(4-ethylcyclohexanecarbonyl)-5-(furan-2-yl)-1H-pyrazole-3-carbohydrazide is CCC1CCC(C(=O)NNC(=O)c2cc(-c3ccco3)[nH]n2)CC1.
What is the InChIKey of N'-(4-ethylcyclohexanecarbonyl)-5-(furan-2-yl)-1H-pyrazole-3-carbohydrazide?
The InChIKey is ABIBXAMAEJYHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-2-11-5-7-12(8-6-11)16(22)20-21-17(23)14-10-13(18-19-14)15-4-3-9-24-15/h3-4,9-12H,2,5-8H2,1H3,(H,18,19)(H,20,22)(H,21,23).
What are the key properties of N'-(4-ethylcyclohexanecarbonyl)-5-(furan-2-yl)-1H-pyrazole-3-carbohydrazide?
N'-(4-ethylcyclohexanecarbonyl)-5-(furan-2-yl)-1H-pyrazole-3-carbohydrazide has a molecular weight of 330.39 g/mol, XLogP of 2.65, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-ethylcyclohexanecarbonyl)-5-(furan-2-yl)-1H-pyrazole-3-carbohydrazide is sourced from PubChem (CID 3417519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).