N'-hydroxy-1-(5-methyl-1H-pyrazole-4-carbonyl)piperidine-4-carboximidamide

C11H17N5O2 — CID 77042423

IUPACN'-hydroxy-1-(5-methyl-1H-pyrazole-4-carbonyl)piperidine-4-carboximidamide
SMILESCc1[nH]ncc1C(=O)N1CCC(C(N)=NO)CC1
InChIInChI=1S/C11H17N5O2/c1-7-9(6-13-14-7)11(17)16-4-2-8(3-5-16)10(12)15-18/h6,8,18H,2-5H2,1H3,(H2,12,15)(H,13,14)
InChIKeyOTFQEIRLZBYKNO-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.32
Rot. Bonds2

About N'-hydroxy-1-(5-methyl-1H-pyrazole-4-carbonyl)piperidine-4-carboximidamide

N'-hydroxy-1-(5-methyl-1H-pyrazole-4-carbonyl)piperidine-4-carboximidamide (PubChem CID 77042423) has the molecular formula C11H17N5O2 and a molecular weight of 251.29 g/mol. Its IUPAC name is N'-hydroxy-1-(5-methyl-1H-pyrazole-4-carbonyl)piperidine-4-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-(5-methyl-1H-pyrazole-4-carbonyl)piperidine-4-carboximidamide
PubChem CID77042423
Molecular FormulaC11H17N5O2
Molecular Weight251.29 g/mol
Exact Mass251.14
IUPAC NameN'-hydroxy-1-(5-methyl-1H-pyrazole-4-carbonyl)piperidine-4-carboximidamide
SMILESCc1[nH]ncc1C(=O)N1CCC(C(N)=NO)CC1
InChIInChI=1S/C11H17N5O2/c1-7-9(6-13-14-7)11(17)16-4-2-8(3-5-16)10(12)15-18/h6,8,18H,2-5H2,1H3,(H2,12,15)(H,13,14)
InChIKeyOTFQEIRLZBYKNO-UHFFFAOYSA-N
XLogP0.32
TPSA107.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.32
H-Bond Donors ≤ 53
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 N'-hydroxy-1-(5-methyl-1H-pyrazole-4-carbonyl)piperidine-4-carboximidamide?
The IUPAC name of N'-hydroxy-1-(5-methyl-1H-pyrazole-4-carbonyl)piperidine-4-carboximidamide (CID 77042423) is N'-hydroxy-1-(5-methyl-1H-pyrazole-4-carbonyl)piperidine-4-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-(5-methyl-1H-pyrazole-4-carbonyl)piperidine-4-carboximidamide?
The canonical SMILES for N'-hydroxy-1-(5-methyl-1H-pyrazole-4-carbonyl)piperidine-4-carboximidamide is Cc1[nH]ncc1C(=O)N1CCC(C(N)=NO)CC1.
What is the InChIKey of N'-hydroxy-1-(5-methyl-1H-pyrazole-4-carbonyl)piperidine-4-carboximidamide?
The InChIKey is OTFQEIRLZBYKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2/c1-7-9(6-13-14-7)11(17)16-4-2-8(3-5-16)10(12)15-18/h6,8,18H,2-5H2,1H3,(H2,12,15)(H,13,14).
What are the key properties of N'-hydroxy-1-(5-methyl-1H-pyrazole-4-carbonyl)piperidine-4-carboximidamide?
N'-hydroxy-1-(5-methyl-1H-pyrazole-4-carbonyl)piperidine-4-carboximidamide has a molecular weight of 251.29 g/mol, XLogP of 0.32, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1-(5-methyl-1H-pyrazole-4-carbonyl)piperidine-4-carboximidamide is sourced from PubChem (CID 77042423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).