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

C10H16N6O2 — CID 77012033

IUPACN'-hydroxy-2-[4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]ethanimidamide
SMILESNC(CN1CCN(C(=O)c2cn[nH]c2)CC1)=NO
InChIInChI=1S/C10H16N6O2/c11-9(14-18)7-15-1-3-16(4-2-15)10(17)8-5-12-13-6-8/h5-6,18H,1-4,7H2,(H2,11,14)(H,12,13)
InChIKeyOOTLWYYRFDXHCT-UHFFFAOYSA-N
MW252.28 g/mol
LogP-1.09
Rot. Bonds3

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

N'-hydroxy-2-[4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]ethanimidamide (PubChem CID 77012033) has the molecular formula C10H16N6O2 and a molecular weight of 252.28 g/mol. Its IUPAC name is N'-hydroxy-2-[4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]ethanimidamide
PubChem CID77012033
Molecular FormulaC10H16N6O2
Molecular Weight252.28 g/mol
Exact Mass252.13
IUPAC NameN'-hydroxy-2-[4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]ethanimidamide
SMILESNC(CN1CCN(C(=O)c2cn[nH]c2)CC1)=NO
InChIInChI=1S/C10H16N6O2/c11-9(14-18)7-15-1-3-16(4-2-15)10(17)8-5-12-13-6-8/h5-6,18H,1-4,7H2,(H2,11,14)(H,12,13)
InChIKeyOOTLWYYRFDXHCT-UHFFFAOYSA-N
XLogP-1.09
TPSA110.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 5-1.09
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

1H-pyrazol-4-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 60786982
(4-propylpiperazin-1-yl)-(1H-pyrazol-4-yl)methanone
CID 43582709
[4-(2-bromoethyl)piperazin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 80660526
2-[4-(5-bromopyridine-3-carbonyl)piperazin-1-yl]-N'-hydroxyethanimidamide
CID 77011992
N'-hydroxy-2-[4-(5-methylpyridine-3-carbonyl)piperazin-1-yl]ethanimidamide
CID 77072546
azetidin-1-yl(1H-pyrazol-4-yl)methanone
CID 130157927
N'-hydroxy-2-[4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]pentanimidamide
CID 77012746
[4-(2-bromoethyl)-1,4-diazepan-1-yl]-(1H-pyrazol-4-yl)methanone
CID 80665317
N'-hydroxy-2-[4-(pyridine-2-carbonyl)piperazin-1-yl]ethanimidamide
CID 77011807
2-[4-(1,3-dimethylpyrazole-4-carbonyl)piperazin-1-yl]-N'-hydroxyethanimidamide
CID 102802160
1H-pyrazol-4-yl-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
CID 60786486
1H-pyrazol-4-yl-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 60785975

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]ethanimidamide (CID 77012033) is N'-hydroxy-2-[4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]ethanimidamide is NC(CN1CCN(C(=O)c2cn[nH]c2)CC1)=NO.
What is the InChIKey of N'-hydroxy-2-[4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]ethanimidamide?
The InChIKey is OOTLWYYRFDXHCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6O2/c11-9(14-18)7-15-1-3-16(4-2-15)10(17)8-5-12-13-6-8/h5-6,18H,1-4,7H2,(H2,11,14)(H,12,13).
What are the key properties of N'-hydroxy-2-[4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]ethanimidamide?
N'-hydroxy-2-[4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]ethanimidamide has a molecular weight of 252.28 g/mol, XLogP of -1.09, 3 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]ethanimidamide is sourced from PubChem (CID 77012033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).