[2-oxo-2-[(2Z)-2-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydrazinyl]ethyl] 2-methylpyrazole-3-carboxylate

C17H24N4O3 — CID 75364388

IUPAC[2-oxo-2-[(2Z)-2-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydrazinyl]ethyl] 2-methylpyrazole-3-carboxylate
SMILESCn1nccc1C(=O)OCC(=O)N/N=C1/CC2CCC1(C)C2(C)C
InChIInChI=1S/C17H24N4O3/c1-16(2)11-5-7-17(16,3)13(9-11)19-20-14(22)10-24-15(23)12-6-8-18-21(12)4/h6,8,11H,5,7,9-10H2,1-4H3,(H,20,22)/b19-13-
InChIKeyMIUYPMFCCMIWQZ-UYRXBGFRSA-N
MW332.40 g/mol
LogP1.90
Rot. Bonds4

About [2-oxo-2-[(2Z)-2-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydrazinyl]ethyl] 2-methylpyrazole-3-carboxylate

[2-oxo-2-[(2Z)-2-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydrazinyl]ethyl] 2-methylpyrazole-3-carboxylate (PubChem CID 75364388) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is [2-oxo-2-[(2Z)-2-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydrazinyl]ethyl] 2-methylpyrazole-3-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-[(2Z)-2-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydrazinyl]ethyl] 2-methylpyrazole-3-carboxylate
PubChem CID75364388
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name[2-oxo-2-[(2Z)-2-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydrazinyl]ethyl] 2-methylpyrazole-3-carboxylate
SMILESCn1nccc1C(=O)OCC(=O)N/N=C1/CC2CCC1(C)C2(C)C
InChIInChI=1S/C17H24N4O3/c1-16(2)11-5-7-17(16,3)13(9-11)19-20-14(22)10-24-15(23)12-6-8-18-21(12)4/h6,8,11H,5,7,9-10H2,1-4H3,(H,20,22)/b19-13-
InChIKeyMIUYPMFCCMIWQZ-UYRXBGFRSA-N
XLogP1.90
TPSA85.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[(2Z)-2-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydrazinyl]ethyl] 2-methylpyrazole-3-carboxylate?
The IUPAC name of [2-oxo-2-[(2Z)-2-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydrazinyl]ethyl] 2-methylpyrazole-3-carboxylate (CID 75364388) is [2-oxo-2-[(2Z)-2-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydrazinyl]ethyl] 2-methylpyrazole-3-carboxylate.
What is the SMILES notation for [2-oxo-2-[(2Z)-2-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydrazinyl]ethyl] 2-methylpyrazole-3-carboxylate?
The canonical SMILES for [2-oxo-2-[(2Z)-2-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydrazinyl]ethyl] 2-methylpyrazole-3-carboxylate is Cn1nccc1C(=O)OCC(=O)N/N=C1/CC2CCC1(C)C2(C)C.
What is the InChIKey of [2-oxo-2-[(2Z)-2-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydrazinyl]ethyl] 2-methylpyrazole-3-carboxylate?
The InChIKey is MIUYPMFCCMIWQZ-UYRXBGFRSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-16(2)11-5-7-17(16,3)13(9-11)19-20-14(22)10-24-15(23)12-6-8-18-21(12)4/h6,8,11H,5,7,9-10H2,1-4H3,(H,20,22)/b19-13-.
What are the key properties of [2-oxo-2-[(2Z)-2-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydrazinyl]ethyl] 2-methylpyrazole-3-carboxylate?
[2-oxo-2-[(2Z)-2-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydrazinyl]ethyl] 2-methylpyrazole-3-carboxylate has a molecular weight of 332.40 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[(2Z)-2-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydrazinyl]ethyl] 2-methylpyrazole-3-carboxylate is sourced from PubChem (CID 75364388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).