N'-hydroxy-2-methyl-2-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]propanimidamide

C13H24N6O — CID 77012082

IUPACN'-hydroxy-2-methyl-2-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]propanimidamide
SMILESCC(C)(C(N)=NO)N1CCN(CCn2cccn2)CC1
InChIInChI=1S/C13H24N6O/c1-13(2,12(14)16-20)18-9-6-17(7-10-18)8-11-19-5-3-4-15-19/h3-5,20H,6-11H2,1-2H3,(H2,14,16)
InChIKeyFCLLAIPICMCOKQ-UHFFFAOYSA-N
MW280.38 g/mol
LogP0.03
Rot. Bonds5

About N'-hydroxy-2-methyl-2-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]propanimidamide

N'-hydroxy-2-methyl-2-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]propanimidamide (PubChem CID 77012082) has the molecular formula C13H24N6O and a molecular weight of 280.38 g/mol. Its IUPAC name is N'-hydroxy-2-methyl-2-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-methyl-2-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]propanimidamide
PubChem CID77012082
Molecular FormulaC13H24N6O
Molecular Weight280.38 g/mol
Exact Mass280.20
IUPAC NameN'-hydroxy-2-methyl-2-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]propanimidamide
SMILESCC(C)(C(N)=NO)N1CCN(CCn2cccn2)CC1
InChIInChI=1S/C13H24N6O/c1-13(2,12(14)16-20)18-9-6-17(7-10-18)8-11-19-5-3-4-15-19/h3-5,20H,6-11H2,1-2H3,(H2,14,16)
InChIKeyFCLLAIPICMCOKQ-UHFFFAOYSA-N
XLogP0.03
TPSA82.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 50.03
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-methyl-2-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanimidamide
CID 107912433
N'-hydroxy-2-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]ethanimidamide
CID 55201572
N'-hydroxy-2-methyl-2-[4-(2-methylsulfanylethyl)piperazin-1-yl]propanimidamide
CID 104863517
N'-hydroxy-2-[4-(3-methoxypropyl)piperazin-1-yl]-2-methylpropanimidamide
CID 55201586
N'-hydroxy-2-methyl-2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]propanimidamide
CID 115981994
2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N'-hydroxy-2-methylpropanimidamide
CID 77012070
2-(4-ethylsulfonylpiperazin-1-yl)-N'-hydroxy-2-methylpropanimidamide
CID 55203523
2-pyrazol-1-yl-1-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]ethanone
CID 90508652
2-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-N'-hydroxy-2-methylpropanimidamide
CID 77012166
2-[4-(2,2-dimethylbutanoyl)piperazin-1-yl]-N'-hydroxy-2-methylpropanimidamide
CID 77012817
1-(2-ethylphenyl)-4-(2-pyrazol-1-ylethyl)piperazine
CID 118789531
(3R,4S)-1-(2-pyrazol-1-ylethyl)pyrrolidine-3,4-diol
CID 115278412

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-methyl-2-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]propanimidamide?
The IUPAC name of N'-hydroxy-2-methyl-2-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]propanimidamide (CID 77012082) is N'-hydroxy-2-methyl-2-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]propanimidamide.
What is the SMILES notation for N'-hydroxy-2-methyl-2-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]propanimidamide?
The canonical SMILES for N'-hydroxy-2-methyl-2-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]propanimidamide is CC(C)(C(N)=NO)N1CCN(CCn2cccn2)CC1.
What is the InChIKey of N'-hydroxy-2-methyl-2-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]propanimidamide?
The InChIKey is FCLLAIPICMCOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N6O/c1-13(2,12(14)16-20)18-9-6-17(7-10-18)8-11-19-5-3-4-15-19/h3-5,20H,6-11H2,1-2H3,(H2,14,16).
What are the key properties of N'-hydroxy-2-methyl-2-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]propanimidamide?
N'-hydroxy-2-methyl-2-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]propanimidamide has a molecular weight of 280.38 g/mol, XLogP of 0.03, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-methyl-2-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]propanimidamide is sourced from PubChem (CID 77012082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).