2-[4-(1,3-dimethylpyrazole-4-carbonyl)piperazin-1-yl]-N'-hydroxyethanimidamide

C12H20N6O2 — CID 102802160

IUPAC2-[4-(1,3-dimethylpyrazole-4-carbonyl)piperazin-1-yl]-N'-hydroxyethanimidamide
SMILESCc1nn(C)cc1C(=O)N1CCN(C/C(N)=N/O)CC1
InChIInChI=1S/C12H20N6O2/c1-9-10(7-16(2)14-9)12(19)18-5-3-17(4-6-18)8-11(13)15-20/h7,20H,3-6,8H2,1-2H3,(H2,13,15)
InChIKeyIJFSGYNHDBKVIT-UHFFFAOYSA-N
MW280.33 g/mol
LogP-0.77
Rot. Bonds3

About 2-[4-(1,3-dimethylpyrazole-4-carbonyl)piperazin-1-yl]-N'-hydroxyethanimidamide

2-[4-(1,3-dimethylpyrazole-4-carbonyl)piperazin-1-yl]-N'-hydroxyethanimidamide (PubChem CID 102802160) has the molecular formula C12H20N6O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-[4-(1,3-dimethylpyrazole-4-carbonyl)piperazin-1-yl]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[4-(1,3-dimethylpyrazole-4-carbonyl)piperazin-1-yl]-N'-hydroxyethanimidamide
PubChem CID102802160
Molecular FormulaC12H20N6O2
Molecular Weight280.33 g/mol
Exact Mass280.16
IUPAC Name2-[4-(1,3-dimethylpyrazole-4-carbonyl)piperazin-1-yl]-N'-hydroxyethanimidamide
SMILESCc1nn(C)cc1C(=O)N1CCN(C/C(N)=N/O)CC1
InChIInChI=1S/C12H20N6O2/c1-9-10(7-16(2)14-9)12(19)18-5-3-17(4-6-18)8-11(13)15-20/h7,20H,3-6,8H2,1-2H3,(H2,13,15)
InChIKeyIJFSGYNHDBKVIT-UHFFFAOYSA-N
XLogP-0.77
TPSA99.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 5-0.77
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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Related Compounds

N'-hydroxy-2-[4-(1,3,5-trimethylpyrazole-4-carbonyl)piperazin-1-yl]ethanimidamide
CID 77011990
N'-hydroxy-2-[4-(4-hydroxy-2-methylbenzoyl)piperazin-1-yl]ethanimidamide
CID 107672471
[4-(1-aminopropan-2-yl)piperazin-1-yl]-(1,3-dimethylpyrazol-4-yl)methanone
CID 102801072
N'-hydroxy-2-[4-(5-methylpyridine-3-carbonyl)piperazin-1-yl]ethanimidamide
CID 77072546
2-[4-(5-bromo-2-methylbenzoyl)piperazin-1-yl]-N'-hydroxyethanimidamide
CID 77064947
2-[4-(2,5-difluorobenzoyl)piperazin-1-yl]-N'-hydroxyethanimidamide
CID 77011940
1-(1,3-dimethylpyrazole-4-carbonyl)-4-methylpiperidine-4-carbothioamide
CID 107161004
[4-(1,3-dimethylpyrazole-4-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 844559
N'-hydroxy-2-[4-(pyridine-2-carbonyl)piperazin-1-yl]ethanimidamide
CID 77011807
N'-hydroxy-2-[4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]ethanimidamide
CID 77012033
2-[4-(2-bromofuran-3-carbonyl)piperazin-1-yl]-N'-hydroxyethanimidamide
CID 106855786
2-[4-(5-bromo-2-chlorobenzoyl)piperazin-1-yl]-N'-hydroxyethanimidamide
CID 77012051

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-dimethylpyrazole-4-carbonyl)piperazin-1-yl]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[4-(1,3-dimethylpyrazole-4-carbonyl)piperazin-1-yl]-N'-hydroxyethanimidamide (CID 102802160) is 2-[4-(1,3-dimethylpyrazole-4-carbonyl)piperazin-1-yl]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[4-(1,3-dimethylpyrazole-4-carbonyl)piperazin-1-yl]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[4-(1,3-dimethylpyrazole-4-carbonyl)piperazin-1-yl]-N'-hydroxyethanimidamide is Cc1nn(C)cc1C(=O)N1CCN(C/C(N)=N/O)CC1.
What is the InChIKey of 2-[4-(1,3-dimethylpyrazole-4-carbonyl)piperazin-1-yl]-N'-hydroxyethanimidamide?
The InChIKey is IJFSGYNHDBKVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6O2/c1-9-10(7-16(2)14-9)12(19)18-5-3-17(4-6-18)8-11(13)15-20/h7,20H,3-6,8H2,1-2H3,(H2,13,15).
What are the key properties of 2-[4-(1,3-dimethylpyrazole-4-carbonyl)piperazin-1-yl]-N'-hydroxyethanimidamide?
2-[4-(1,3-dimethylpyrazole-4-carbonyl)piperazin-1-yl]-N'-hydroxyethanimidamide has a molecular weight of 280.33 g/mol, XLogP of -0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-dimethylpyrazole-4-carbonyl)piperazin-1-yl]-N'-hydroxyethanimidamide is sourced from PubChem (CID 102802160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).