N'-hydroxy-2-[4-(1,3,5-trimethylpyrazole-4-carbonyl)piperazin-1-yl]ethanimidamide

C13H22N6O2 — CID 77011990

IUPACN'-hydroxy-2-[4-(1,3,5-trimethylpyrazole-4-carbonyl)piperazin-1-yl]ethanimidamide
SMILESCc1nn(C)c(C)c1C(=O)N1CCN(CC(N)=NO)CC1
InChIInChI=1S/C13H22N6O2/c1-9-12(10(2)17(3)15-9)13(20)19-6-4-18(5-7-19)8-11(14)16-21/h21H,4-8H2,1-3H3,(H2,14,16)
InChIKeyMIEIEQBODXFSFO-UHFFFAOYSA-N
MW294.36 g/mol
LogP-0.46
Rot. Bonds3

About N'-hydroxy-2-[4-(1,3,5-trimethylpyrazole-4-carbonyl)piperazin-1-yl]ethanimidamide

N'-hydroxy-2-[4-(1,3,5-trimethylpyrazole-4-carbonyl)piperazin-1-yl]ethanimidamide (PubChem CID 77011990) has the molecular formula C13H22N6O2 and a molecular weight of 294.36 g/mol. Its IUPAC name is N'-hydroxy-2-[4-(1,3,5-trimethylpyrazole-4-carbonyl)piperazin-1-yl]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[4-(1,3,5-trimethylpyrazole-4-carbonyl)piperazin-1-yl]ethanimidamide
PubChem CID77011990
Molecular FormulaC13H22N6O2
Molecular Weight294.36 g/mol
Exact Mass294.18
IUPAC NameN'-hydroxy-2-[4-(1,3,5-trimethylpyrazole-4-carbonyl)piperazin-1-yl]ethanimidamide
SMILESCc1nn(C)c(C)c1C(=O)N1CCN(CC(N)=NO)CC1
InChIInChI=1S/C13H22N6O2/c1-9-12(10(2)17(3)15-9)13(20)19-6-4-18(5-7-19)8-11(14)16-21/h21H,4-8H2,1-3H3,(H2,14,16)
InChIKeyMIEIEQBODXFSFO-UHFFFAOYSA-N
XLogP-0.46
TPSA99.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 5-0.46
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

[4-(2-aminoethyl)piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 43251610
2-[4-(1,3-dimethylpyrazole-4-carbonyl)piperazin-1-yl]-N'-hydroxyethanimidamide
CID 102802160
(4-cyclopropylidenepiperidin-1-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 121184183
[4-[(2-bromophenyl)methyl]piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 19331879
N'-hydroxy-2-[4-(5-methylpyridine-3-carbonyl)piperazin-1-yl]ethanimidamide
CID 77072546
(4-ethylphenyl)-[4-(1,3,5-trimethylpyrazole-4-carbonyl)piperazin-1-yl]methanone
CID 33168964
N-(4-amino-4-hydroxyiminobutyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 76952772
[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 94575589
2-[4-(2-fluoro-6-hydroxybenzoyl)piperazin-1-yl]-N'-hydroxyethanimidamide
CID 107016252
N'-hydroxy-2-[4-(4-hydroxy-2-methylbenzoyl)piperazin-1-yl]ethanimidamide
CID 107672471
2-[4-(5-bromo-2-methylbenzoyl)piperazin-1-yl]-N'-hydroxyethanimidamide
CID 77064947
[4-methyl-4-(methylamino)piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 115304418

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[4-(1,3,5-trimethylpyrazole-4-carbonyl)piperazin-1-yl]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[4-(1,3,5-trimethylpyrazole-4-carbonyl)piperazin-1-yl]ethanimidamide (CID 77011990) is N'-hydroxy-2-[4-(1,3,5-trimethylpyrazole-4-carbonyl)piperazin-1-yl]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[4-(1,3,5-trimethylpyrazole-4-carbonyl)piperazin-1-yl]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[4-(1,3,5-trimethylpyrazole-4-carbonyl)piperazin-1-yl]ethanimidamide is Cc1nn(C)c(C)c1C(=O)N1CCN(CC(N)=NO)CC1.
What is the InChIKey of N'-hydroxy-2-[4-(1,3,5-trimethylpyrazole-4-carbonyl)piperazin-1-yl]ethanimidamide?
The InChIKey is MIEIEQBODXFSFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6O2/c1-9-12(10(2)17(3)15-9)13(20)19-6-4-18(5-7-19)8-11(14)16-21/h21H,4-8H2,1-3H3,(H2,14,16).
What are the key properties of N'-hydroxy-2-[4-(1,3,5-trimethylpyrazole-4-carbonyl)piperazin-1-yl]ethanimidamide?
N'-hydroxy-2-[4-(1,3,5-trimethylpyrazole-4-carbonyl)piperazin-1-yl]ethanimidamide has a molecular weight of 294.36 g/mol, XLogP of -0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[4-(1,3,5-trimethylpyrazole-4-carbonyl)piperazin-1-yl]ethanimidamide is sourced from PubChem (CID 77011990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).