N'-hydroxy-2-[4-(5-methyl-1H-pyrazole-4-carbonyl)piperazin-1-yl]butanimidamide

C13H22N6O2 — CID 77042376

IUPACN'-hydroxy-2-[4-(5-methyl-1H-pyrazole-4-carbonyl)piperazin-1-yl]butanimidamide
SMILESCCC(C(N)=NO)N1CCN(C(=O)c2cn[nH]c2C)CC1
InChIInChI=1S/C13H22N6O2/c1-3-11(12(14)17-21)18-4-6-19(7-5-18)13(20)10-8-15-16-9(10)2/h8,11,21H,3-7H2,1-2H3,(H2,14,17)(H,15,16)
InChIKeyVOSXHEBLVKCWIP-UHFFFAOYSA-N
MW294.36 g/mol
LogP0.00
Rot. Bonds4

About N'-hydroxy-2-[4-(5-methyl-1H-pyrazole-4-carbonyl)piperazin-1-yl]butanimidamide

N'-hydroxy-2-[4-(5-methyl-1H-pyrazole-4-carbonyl)piperazin-1-yl]butanimidamide (PubChem CID 77042376) has the molecular formula C13H22N6O2 and a molecular weight of 294.36 g/mol. Its IUPAC name is N'-hydroxy-2-[4-(5-methyl-1H-pyrazole-4-carbonyl)piperazin-1-yl]butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[4-(5-methyl-1H-pyrazole-4-carbonyl)piperazin-1-yl]butanimidamide
PubChem CID77042376
Molecular FormulaC13H22N6O2
Molecular Weight294.36 g/mol
Exact Mass294.18
IUPAC NameN'-hydroxy-2-[4-(5-methyl-1H-pyrazole-4-carbonyl)piperazin-1-yl]butanimidamide
SMILESCCC(C(N)=NO)N1CCN(C(=O)c2cn[nH]c2C)CC1
InChIInChI=1S/C13H22N6O2/c1-3-11(12(14)17-21)18-4-6-19(7-5-18)13(20)10-8-15-16-9(10)2/h8,11,21H,3-7H2,1-2H3,(H2,14,17)(H,15,16)
InChIKeyVOSXHEBLVKCWIP-UHFFFAOYSA-N
XLogP0.00
TPSA110.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 50.00
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[4-(5-methyl-1H-pyrazole-4-carbonyl)piperazin-1-yl]butanimidamide?
The IUPAC name of N'-hydroxy-2-[4-(5-methyl-1H-pyrazole-4-carbonyl)piperazin-1-yl]butanimidamide (CID 77042376) is N'-hydroxy-2-[4-(5-methyl-1H-pyrazole-4-carbonyl)piperazin-1-yl]butanimidamide.
What is the SMILES notation for N'-hydroxy-2-[4-(5-methyl-1H-pyrazole-4-carbonyl)piperazin-1-yl]butanimidamide?
The canonical SMILES for N'-hydroxy-2-[4-(5-methyl-1H-pyrazole-4-carbonyl)piperazin-1-yl]butanimidamide is CCC(C(N)=NO)N1CCN(C(=O)c2cn[nH]c2C)CC1.
What is the InChIKey of N'-hydroxy-2-[4-(5-methyl-1H-pyrazole-4-carbonyl)piperazin-1-yl]butanimidamide?
The InChIKey is VOSXHEBLVKCWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6O2/c1-3-11(12(14)17-21)18-4-6-19(7-5-18)13(20)10-8-15-16-9(10)2/h8,11,21H,3-7H2,1-2H3,(H2,14,17)(H,15,16).
What are the key properties of N'-hydroxy-2-[4-(5-methyl-1H-pyrazole-4-carbonyl)piperazin-1-yl]butanimidamide?
N'-hydroxy-2-[4-(5-methyl-1H-pyrazole-4-carbonyl)piperazin-1-yl]butanimidamide has a molecular weight of 294.36 g/mol, XLogP of 0.00, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[4-(5-methyl-1H-pyrazole-4-carbonyl)piperazin-1-yl]butanimidamide is sourced from PubChem (CID 77042376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).