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

C13H22N6O2 — CID 77012746

IUPACN'-hydroxy-2-[4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]pentanimidamide
SMILESCCCC(C(N)=NO)N1CCN(C(=O)c2cn[nH]c2)CC1
InChIInChI=1S/C13H22N6O2/c1-2-3-11(12(14)17-21)18-4-6-19(7-5-18)13(20)10-8-15-16-9-10/h8-9,11,21H,2-7H2,1H3,(H2,14,17)(H,15,16)
InChIKeyNJGDGLUIEJBQAH-UHFFFAOYSA-N
MW294.36 g/mol
LogP0.08
Rot. Bonds5

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

N'-hydroxy-2-[4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]pentanimidamide (PubChem CID 77012746) has the molecular formula C13H22N6O2 and a molecular weight of 294.36 g/mol. Its IUPAC name is N'-hydroxy-2-[4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]pentanimidamide
PubChem CID77012746
Molecular FormulaC13H22N6O2
Molecular Weight294.36 g/mol
Exact Mass294.18
IUPAC NameN'-hydroxy-2-[4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]pentanimidamide
SMILESCCCC(C(N)=NO)N1CCN(C(=O)c2cn[nH]c2)CC1
InChIInChI=1S/C13H22N6O2/c1-2-3-11(12(14)17-21)18-4-6-19(7-5-18)13(20)10-8-15-16-9-10/h8-9,11,21H,2-7H2,1H3,(H2,14,17)(H,15,16)
InChIKeyNJGDGLUIEJBQAH-UHFFFAOYSA-N
XLogP0.08
TPSA110.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 50.08
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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Related Compounds

2-[4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]butanethioamide
CID 63340326
2-(4-acetylpiperazin-1-yl)-N'-hydroxypentanimidamide
CID 55222178
[4-(1-aminopentan-3-yl)piperazin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 63085261
[4-(1-aminobutan-2-yl)piperazin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 55201582
N'-hydroxy-2-[4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]ethanimidamide
CID 77012033
(4-propylpiperazin-1-yl)-(1H-pyrazol-4-yl)methanone
CID 43582709
N'-hydroxy-2-[4-(2-methoxyacetyl)piperazin-1-yl]pentanimidamide
CID 77012839
N'-hydroxy-2-[4-(5-methyl-1H-pyrazole-4-carbonyl)piperazin-1-yl]butanimidamide
CID 77042376
[4-(1-aminoethyl)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 63595151
4-(1-amino-1-hydroxyiminopentan-2-yl)-N-propylpiperazine-1-carboxamide
CID 77012597
N'-hydroxy-2-(4-methylpiperazin-1-yl)pentanimidamide
CID 77012111
[4-(hydroxymethyl)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 43582926

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]pentanimidamide?
The IUPAC name of N'-hydroxy-2-[4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]pentanimidamide (CID 77012746) is N'-hydroxy-2-[4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]pentanimidamide.
What is the SMILES notation for N'-hydroxy-2-[4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]pentanimidamide?
The canonical SMILES for N'-hydroxy-2-[4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]pentanimidamide is CCCC(C(N)=NO)N1CCN(C(=O)c2cn[nH]c2)CC1.
What is the InChIKey of N'-hydroxy-2-[4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]pentanimidamide?
The InChIKey is NJGDGLUIEJBQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6O2/c1-2-3-11(12(14)17-21)18-4-6-19(7-5-18)13(20)10-8-15-16-9-10/h8-9,11,21H,2-7H2,1H3,(H2,14,17)(H,15,16).
What are the key properties of N'-hydroxy-2-[4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]pentanimidamide?
N'-hydroxy-2-[4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]pentanimidamide has a molecular weight of 294.36 g/mol, XLogP of 0.08, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]pentanimidamide is sourced from PubChem (CID 77012746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).