N'-hydroxy-2-methyl-2-[4-[(1-methylpyrazol-3-yl)methyl]piperazin-1-yl]propanimidamide

C13H24N6O — CID 82865429

IUPACN'-hydroxy-2-methyl-2-[4-[(1-methylpyrazol-3-yl)methyl]piperazin-1-yl]propanimidamide
SMILESCn1ccc(CN2CCN(C(C)(C)/C(N)=N/O)CC2)n1
InChIInChI=1S/C13H24N6O/c1-13(2,12(14)16-20)19-8-6-18(7-9-19)10-11-4-5-17(3)15-11/h4-5,20H,6-10H2,1-3H3,(H2,14,16)
InChIKeyWZYWSKJJJPVRKX-UHFFFAOYSA-N
MW280.38 g/mol
LogP0.06
Rot. Bonds4

About N'-hydroxy-2-methyl-2-[4-[(1-methylpyrazol-3-yl)methyl]piperazin-1-yl]propanimidamide

N'-hydroxy-2-methyl-2-[4-[(1-methylpyrazol-3-yl)methyl]piperazin-1-yl]propanimidamide (PubChem CID 82865429) has the molecular formula C13H24N6O and a molecular weight of 280.38 g/mol. Its IUPAC name is N'-hydroxy-2-methyl-2-[4-[(1-methylpyrazol-3-yl)methyl]piperazin-1-yl]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-methyl-2-[4-[(1-methylpyrazol-3-yl)methyl]piperazin-1-yl]propanimidamide
PubChem CID82865429
Molecular FormulaC13H24N6O
Molecular Weight280.38 g/mol
Exact Mass280.20
IUPAC NameN'-hydroxy-2-methyl-2-[4-[(1-methylpyrazol-3-yl)methyl]piperazin-1-yl]propanimidamide
SMILESCn1ccc(CN2CCN(C(C)(C)/C(N)=N/O)CC2)n1
InChIInChI=1S/C13H24N6O/c1-13(2,12(14)16-20)19-8-6-18(7-9-19)10-11-4-5-17(3)15-11/h4-5,20H,6-10H2,1-3H3,(H2,14,16)
InChIKeyWZYWSKJJJPVRKX-UHFFFAOYSA-N
XLogP0.06
TPSA82.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 50.06
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-methylpyrazol-3-yl)methyl]piperazin-1-yl]propanimidamide?
The IUPAC name of N'-hydroxy-2-methyl-2-[4-[(1-methylpyrazol-3-yl)methyl]piperazin-1-yl]propanimidamide (CID 82865429) is N'-hydroxy-2-methyl-2-[4-[(1-methylpyrazol-3-yl)methyl]piperazin-1-yl]propanimidamide.
What is the SMILES notation for N'-hydroxy-2-methyl-2-[4-[(1-methylpyrazol-3-yl)methyl]piperazin-1-yl]propanimidamide?
The canonical SMILES for N'-hydroxy-2-methyl-2-[4-[(1-methylpyrazol-3-yl)methyl]piperazin-1-yl]propanimidamide is Cn1ccc(CN2CCN(C(C)(C)/C(N)=N/O)CC2)n1.
What is the InChIKey of N'-hydroxy-2-methyl-2-[4-[(1-methylpyrazol-3-yl)methyl]piperazin-1-yl]propanimidamide?
The InChIKey is WZYWSKJJJPVRKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N6O/c1-13(2,12(14)16-20)19-8-6-18(7-9-19)10-11-4-5-17(3)15-11/h4-5,20H,6-10H2,1-3H3,(H2,14,16).
What are the key properties of N'-hydroxy-2-methyl-2-[4-[(1-methylpyrazol-3-yl)methyl]piperazin-1-yl]propanimidamide?
N'-hydroxy-2-methyl-2-[4-[(1-methylpyrazol-3-yl)methyl]piperazin-1-yl]propanimidamide has a molecular weight of 280.38 g/mol, XLogP of 0.06, 4 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-methylpyrazol-3-yl)methyl]piperazin-1-yl]propanimidamide is sourced from PubChem (CID 82865429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).