N'-hydroxy-2-methyl-2-[4-(1-methylpyrazole-4-carbonyl)piperazin-1-yl]propanimidamide

C13H22N6O2 — CID 77012740

IUPACN'-hydroxy-2-methyl-2-[4-(1-methylpyrazole-4-carbonyl)piperazin-1-yl]propanimidamide
SMILESCn1cc(C(=O)N2CCN(C(C)(C)C(N)=NO)CC2)cn1
InChIInChI=1S/C13H22N6O2/c1-13(2,12(14)16-21)19-6-4-18(5-7-19)11(20)10-8-15-17(3)9-10/h8-9,21H,4-7H2,1-3H3,(H2,14,16)
InChIKeyBCUWQGQEQNKLJI-UHFFFAOYSA-N
MW294.36 g/mol
LogP-0.30
Rot. Bonds3

About N'-hydroxy-2-methyl-2-[4-(1-methylpyrazole-4-carbonyl)piperazin-1-yl]propanimidamide

N'-hydroxy-2-methyl-2-[4-(1-methylpyrazole-4-carbonyl)piperazin-1-yl]propanimidamide (PubChem CID 77012740) has the molecular formula C13H22N6O2 and a molecular weight of 294.36 g/mol. Its IUPAC name is N'-hydroxy-2-methyl-2-[4-(1-methylpyrazole-4-carbonyl)piperazin-1-yl]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-methyl-2-[4-(1-methylpyrazole-4-carbonyl)piperazin-1-yl]propanimidamide
PubChem CID77012740
Molecular FormulaC13H22N6O2
Molecular Weight294.36 g/mol
Exact Mass294.18
IUPAC NameN'-hydroxy-2-methyl-2-[4-(1-methylpyrazole-4-carbonyl)piperazin-1-yl]propanimidamide
SMILESCn1cc(C(=O)N2CCN(C(C)(C)C(N)=NO)CC2)cn1
InChIInChI=1S/C13H22N6O2/c1-13(2,12(14)16-21)19-6-4-18(5-7-19)11(20)10-8-15-17(3)9-10/h8-9,21H,4-7H2,1-3H3,(H2,14,16)
InChIKeyBCUWQGQEQNKLJI-UHFFFAOYSA-N
XLogP-0.30
TPSA99.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-2-methyl-2-[4-(1-methylpyrazole-4-carbonyl)piperazin-1-yl]propanimidamide?
The IUPAC name of N'-hydroxy-2-methyl-2-[4-(1-methylpyrazole-4-carbonyl)piperazin-1-yl]propanimidamide (CID 77012740) is N'-hydroxy-2-methyl-2-[4-(1-methylpyrazole-4-carbonyl)piperazin-1-yl]propanimidamide.
What is the SMILES notation for N'-hydroxy-2-methyl-2-[4-(1-methylpyrazole-4-carbonyl)piperazin-1-yl]propanimidamide?
The canonical SMILES for N'-hydroxy-2-methyl-2-[4-(1-methylpyrazole-4-carbonyl)piperazin-1-yl]propanimidamide is Cn1cc(C(=O)N2CCN(C(C)(C)C(N)=NO)CC2)cn1.
What is the InChIKey of N'-hydroxy-2-methyl-2-[4-(1-methylpyrazole-4-carbonyl)piperazin-1-yl]propanimidamide?
The InChIKey is BCUWQGQEQNKLJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6O2/c1-13(2,12(14)16-21)19-6-4-18(5-7-19)11(20)10-8-15-17(3)9-10/h8-9,21H,4-7H2,1-3H3,(H2,14,16).
What are the key properties of N'-hydroxy-2-methyl-2-[4-(1-methylpyrazole-4-carbonyl)piperazin-1-yl]propanimidamide?
N'-hydroxy-2-methyl-2-[4-(1-methylpyrazole-4-carbonyl)piperazin-1-yl]propanimidamide has a molecular weight of 294.36 g/mol, XLogP of -0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-methyl-2-[4-(1-methylpyrazole-4-carbonyl)piperazin-1-yl]propanimidamide is sourced from PubChem (CID 77012740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).