2-[1-[(3,5-diethylpyrazol-1-yl)methyl]cyclopropyl]-N'-hydroxyethanimidamide

C13H22N4O — CID 82694886

IUPAC2-[1-[(3,5-diethylpyrazol-1-yl)methyl]cyclopropyl]-N'-hydroxyethanimidamide
SMILESCCc1cc(CC)n(CC2(C/C(N)=N/O)CC2)n1
InChIInChI=1S/C13H22N4O/c1-3-10-7-11(4-2)17(15-10)9-13(5-6-13)8-12(14)16-18/h7,18H,3-6,8-9H2,1-2H3,(H2,14,16)
InChIKeyBLDGYHSYTFNYDK-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.92
Rot. Bonds6

About 2-[1-[(3,5-diethylpyrazol-1-yl)methyl]cyclopropyl]-N'-hydroxyethanimidamide

2-[1-[(3,5-diethylpyrazol-1-yl)methyl]cyclopropyl]-N'-hydroxyethanimidamide (PubChem CID 82694886) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-[1-[(3,5-diethylpyrazol-1-yl)methyl]cyclopropyl]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[1-[(3,5-diethylpyrazol-1-yl)methyl]cyclopropyl]-N'-hydroxyethanimidamide
PubChem CID82694886
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2-[1-[(3,5-diethylpyrazol-1-yl)methyl]cyclopropyl]-N'-hydroxyethanimidamide
SMILESCCc1cc(CC)n(CC2(C/C(N)=N/O)CC2)n1
InChIInChI=1S/C13H22N4O/c1-3-10-7-11(4-2)17(15-10)9-13(5-6-13)8-12(14)16-18/h7,18H,3-6,8-9H2,1-2H3,(H2,14,16)
InChIKeyBLDGYHSYTFNYDK-UHFFFAOYSA-N
XLogP1.92
TPSA76.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_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-[1-[(3,5-diethylpyrazol-1-yl)methyl]cyclopropyl]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[1-[(3,5-diethylpyrazol-1-yl)methyl]cyclopropyl]-N'-hydroxyethanimidamide (CID 82694886) is 2-[1-[(3,5-diethylpyrazol-1-yl)methyl]cyclopropyl]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[1-[(3,5-diethylpyrazol-1-yl)methyl]cyclopropyl]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[1-[(3,5-diethylpyrazol-1-yl)methyl]cyclopropyl]-N'-hydroxyethanimidamide is CCc1cc(CC)n(CC2(C/C(N)=N/O)CC2)n1.
What is the InChIKey of 2-[1-[(3,5-diethylpyrazol-1-yl)methyl]cyclopropyl]-N'-hydroxyethanimidamide?
The InChIKey is BLDGYHSYTFNYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-3-10-7-11(4-2)17(15-10)9-13(5-6-13)8-12(14)16-18/h7,18H,3-6,8-9H2,1-2H3,(H2,14,16).
What are the key properties of 2-[1-[(3,5-diethylpyrazol-1-yl)methyl]cyclopropyl]-N'-hydroxyethanimidamide?
2-[1-[(3,5-diethylpyrazol-1-yl)methyl]cyclopropyl]-N'-hydroxyethanimidamide has a molecular weight of 250.35 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3,5-diethylpyrazol-1-yl)methyl]cyclopropyl]-N'-hydroxyethanimidamide is sourced from PubChem (CID 82694886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).