N'-hydroxy-4-methyl-1-(1-methylpyrazole-3-carbonyl)piperidine-4-carboximidamide

C12H19N5O2 — CID 107162442

IUPACN'-hydroxy-4-methyl-1-(1-methylpyrazole-3-carbonyl)piperidine-4-carboximidamide
SMILESCn1ccc(C(=O)N2CCC(C)(/C(N)=N/O)CC2)n1
InChIInChI=1S/C12H19N5O2/c1-12(11(13)15-19)4-7-17(8-5-12)10(18)9-3-6-16(2)14-9/h3,6,19H,4-5,7-8H2,1-2H3,(H2,13,15)
InChIKeyCWSQRKBDKPGYQA-UHFFFAOYSA-N
MW265.32 g/mol
LogP0.41
Rot. Bonds2

About N'-hydroxy-4-methyl-1-(1-methylpyrazole-3-carbonyl)piperidine-4-carboximidamide

N'-hydroxy-4-methyl-1-(1-methylpyrazole-3-carbonyl)piperidine-4-carboximidamide (PubChem CID 107162442) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is N'-hydroxy-4-methyl-1-(1-methylpyrazole-3-carbonyl)piperidine-4-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-methyl-1-(1-methylpyrazole-3-carbonyl)piperidine-4-carboximidamide
PubChem CID107162442
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC NameN'-hydroxy-4-methyl-1-(1-methylpyrazole-3-carbonyl)piperidine-4-carboximidamide
SMILESCn1ccc(C(=O)N2CCC(C)(/C(N)=N/O)CC2)n1
InChIInChI=1S/C12H19N5O2/c1-12(11(13)15-19)4-7-17(8-5-12)10(18)9-3-6-16(2)14-9/h3,6,19H,4-5,7-8H2,1-2H3,(H2,13,15)
InChIKeyCWSQRKBDKPGYQA-UHFFFAOYSA-N
XLogP0.41
TPSA96.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Related Compounds

(4-methylpiperazin-1-yl)-(1-methylpyrazol-3-yl)methanone
CID 2172453
(1-methylpyrazol-3-yl)-piperidin-1-ylmethanone
CID 19577577
1-(2,6-dichlorobenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide
CID 107162411
N'-hydroxy-4-methyl-1-(5-methylfuran-2-carbonyl)piperidine-4-carboximidamide
CID 107162414
1-(3,4-dimethylbenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide
CID 107162321
N'-hydroxy-4-methyl-1-(2-methylpyridine-3-carbonyl)piperidine-4-carboximidamide
CID 107162575
1-(3,6-dimethylpyridazine-4-carbonyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide
CID 107162433
1-(2-ethylbenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide
CID 107162545
(3-methylazetidin-1-yl)-(1-methylpyrazol-3-yl)methanone
CID 123809651
(2R)-2-methyl-4-(1-methylpyrazole-3-carbonyl)morpholine-2-carboxamide
CID 95815549
1-(3-fluorobenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide
CID 107162552
(1-methylpyrazol-3-yl)-(2-methylspiro[indole-3,4'-piperidine]-1'-yl)methanone
CID 126834320

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-methyl-1-(1-methylpyrazole-3-carbonyl)piperidine-4-carboximidamide?
The IUPAC name of N'-hydroxy-4-methyl-1-(1-methylpyrazole-3-carbonyl)piperidine-4-carboximidamide (CID 107162442) is N'-hydroxy-4-methyl-1-(1-methylpyrazole-3-carbonyl)piperidine-4-carboximidamide.
What is the SMILES notation for N'-hydroxy-4-methyl-1-(1-methylpyrazole-3-carbonyl)piperidine-4-carboximidamide?
The canonical SMILES for N'-hydroxy-4-methyl-1-(1-methylpyrazole-3-carbonyl)piperidine-4-carboximidamide is Cn1ccc(C(=O)N2CCC(C)(/C(N)=N/O)CC2)n1.
What is the InChIKey of N'-hydroxy-4-methyl-1-(1-methylpyrazole-3-carbonyl)piperidine-4-carboximidamide?
The InChIKey is CWSQRKBDKPGYQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-12(11(13)15-19)4-7-17(8-5-12)10(18)9-3-6-16(2)14-9/h3,6,19H,4-5,7-8H2,1-2H3,(H2,13,15).
What are the key properties of N'-hydroxy-4-methyl-1-(1-methylpyrazole-3-carbonyl)piperidine-4-carboximidamide?
N'-hydroxy-4-methyl-1-(1-methylpyrazole-3-carbonyl)piperidine-4-carboximidamide has a molecular weight of 265.32 g/mol, XLogP of 0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-methyl-1-(1-methylpyrazole-3-carbonyl)piperidine-4-carboximidamide is sourced from PubChem (CID 107162442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).