N-(5-formyl-5-azaspiro[2.4]heptan-7-yl)cyclopropanecarboxamide;methoxymethane;5-methyl-3-propan-2-yl-1H-pyrazole

C20H34N4O3 — CID 145062686

IUPACN-(5-formyl-5-azaspiro[2.4]heptan-7-yl)cyclopropanecarboxamide;methoxymethane;5-methyl-3-propan-2-yl-1H-pyrazole
SMILESCOC.Cc1cc(C(C)C)n[nH]1.O=CN1CC(NC(=O)C2CC2)C2(CC2)C1
InChIInChI=1S/C11H16N2O2.C7H12N2.C2H6O/c14-7-13-5-9(11(6-13)3-4-11)12-10(15)8-1-2-8;1-5(2)7-4-6(3)8-9-7;1-3-2/h7-9H,1-6H2,(H,12,15);4-5H,1-3H3,(H,8,9);1-2H3
InChIKeyZAMMUVGDKDBGGP-UHFFFAOYSA-N
MW378.52 g/mol
LogP2.24
Rot. Bonds4

About N-(5-formyl-5-azaspiro[2.4]heptan-7-yl)cyclopropanecarboxamide;methoxymethane;5-methyl-3-propan-2-yl-1H-pyrazole

N-(5-formyl-5-azaspiro[2.4]heptan-7-yl)cyclopropanecarboxamide;methoxymethane;5-methyl-3-propan-2-yl-1H-pyrazole (PubChem CID 145062686) has the molecular formula C20H34N4O3 and a molecular weight of 378.52 g/mol. Its IUPAC name is N-(5-formyl-5-azaspiro[2.4]heptan-7-yl)cyclopropanecarboxamide;methoxymethane;5-methyl-3-propan-2-yl-1H-pyrazole.

Molecular Properties

Compound NameN-(5-formyl-5-azaspiro[2.4]heptan-7-yl)cyclopropanecarboxamide;methoxymethane;5-methyl-3-propan-2-yl-1H-pyrazole
PubChem CID145062686
Molecular FormulaC20H34N4O3
Molecular Weight378.52 g/mol
Exact Mass378.26
IUPAC NameN-(5-formyl-5-azaspiro[2.4]heptan-7-yl)cyclopropanecarboxamide;methoxymethane;5-methyl-3-propan-2-yl-1H-pyrazole
SMILESCOC.Cc1cc(C(C)C)n[nH]1.O=CN1CC(NC(=O)C2CC2)C2(CC2)C1
InChIInChI=1S/C11H16N2O2.C7H12N2.C2H6O/c14-7-13-5-9(11(6-13)3-4-11)12-10(15)8-1-2-8;1-5(2)7-4-6(3)8-9-7;1-3-2/h7-9H,1-6H2,(H,12,15);4-5H,1-3H3,(H,8,9);1-2H3
InChIKeyZAMMUVGDKDBGGP-UHFFFAOYSA-N
XLogP2.24
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-formyl-5-azaspiro[2.4]heptan-7-yl)cyclopropanecarboxamide;methoxymethane;5-methyl-3-propan-2-yl-1H-pyrazole?
The IUPAC name of N-(5-formyl-5-azaspiro[2.4]heptan-7-yl)cyclopropanecarboxamide;methoxymethane;5-methyl-3-propan-2-yl-1H-pyrazole (CID 145062686) is N-(5-formyl-5-azaspiro[2.4]heptan-7-yl)cyclopropanecarboxamide;methoxymethane;5-methyl-3-propan-2-yl-1H-pyrazole.
What is the SMILES notation for N-(5-formyl-5-azaspiro[2.4]heptan-7-yl)cyclopropanecarboxamide;methoxymethane;5-methyl-3-propan-2-yl-1H-pyrazole?
The canonical SMILES for N-(5-formyl-5-azaspiro[2.4]heptan-7-yl)cyclopropanecarboxamide;methoxymethane;5-methyl-3-propan-2-yl-1H-pyrazole is COC.Cc1cc(C(C)C)n[nH]1.O=CN1CC(NC(=O)C2CC2)C2(CC2)C1.
What is the InChIKey of N-(5-formyl-5-azaspiro[2.4]heptan-7-yl)cyclopropanecarboxamide;methoxymethane;5-methyl-3-propan-2-yl-1H-pyrazole?
The InChIKey is ZAMMUVGDKDBGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2.C7H12N2.C2H6O/c14-7-13-5-9(11(6-13)3-4-11)12-10(15)8-1-2-8;1-5(2)7-4-6(3)8-9-7;1-3-2/h7-9H,1-6H2,(H,12,15);4-5H,1-3H3,(H,8,9);1-2H3.
What are the key properties of N-(5-formyl-5-azaspiro[2.4]heptan-7-yl)cyclopropanecarboxamide;methoxymethane;5-methyl-3-propan-2-yl-1H-pyrazole?
N-(5-formyl-5-azaspiro[2.4]heptan-7-yl)cyclopropanecarboxamide;methoxymethane;5-methyl-3-propan-2-yl-1H-pyrazole has a molecular weight of 378.52 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-formyl-5-azaspiro[2.4]heptan-7-yl)cyclopropanecarboxamide;methoxymethane;5-methyl-3-propan-2-yl-1H-pyrazole is sourced from PubChem (CID 145062686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).