N'-hydroxy-3-[methyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]butanimidamide

C11H21N5O — CID 103002979

IUPACN'-hydroxy-3-[methyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]butanimidamide
SMILESCC(CC(N)=NO)N(C)CCc1ccnn1C
InChIInChI=1S/C11H21N5O/c1-9(8-11(12)14-17)15(2)7-5-10-4-6-13-16(10)3/h4,6,9,17H,5,7-8H2,1-3H3,(H2,12,14)
InChIKeyXFJWPAOCIIBPGU-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.42
Rot. Bonds6

About N'-hydroxy-3-[methyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]butanimidamide

N'-hydroxy-3-[methyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]butanimidamide (PubChem CID 103002979) has the molecular formula C11H21N5O and a molecular weight of 239.32 g/mol. Its IUPAC name is N'-hydroxy-3-[methyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[methyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]butanimidamide
PubChem CID103002979
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC NameN'-hydroxy-3-[methyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]butanimidamide
SMILESCC(CC(N)=NO)N(C)CCc1ccnn1C
InChIInChI=1S/C11H21N5O/c1-9(8-11(12)14-17)15(2)7-5-10-4-6-13-16(10)3/h4,6,9,17H,5,7-8H2,1-3H3,(H2,12,14)
InChIKeyXFJWPAOCIIBPGU-UHFFFAOYSA-N
XLogP0.42
TPSA79.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.42
H-Bond Donors ≤ 52
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-N-methyl-2-N-[2-(2-methylpyrazol-3-yl)ethyl]propane-1,2-diamine
CID 103015452
N'-hydroxy-3-[2-(2-methylpyrazol-3-yl)ethylamino]pentanimidamide
CID 103007279
N'-hydroxy-2-[4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanimidamide
CID 103003007
3-[1-[methyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]ethyl]aniline
CID 103003394
2-[2-(2-methylpyrazol-3-yl)ethyl-propan-2-ylamino]ethanol
CID 103014020
N'-hydroxy-3-[(2-methylpyrazol-3-yl)sulfonylamino]pentanimidamide
CID 104710482
3-amino-3-hydroxyimino-2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propanamide
CID 103010114
3-[methyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]propanimidamide
CID 103003029
2-[ethyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]ethanol
CID 103014026
2-[butan-2-yl-[2-(2-methylpyrazol-3-yl)ethyl]amino]acetic acid
CID 103004732
N-(2-bromoethyl)-N-methyl-2-(2-methylpyrazol-3-yl)ethanamine
CID 103015253
3-[2-(2-ethoxyphenoxy)ethyl-methylamino]-N'-hydroxybutanimidamide
CID 77073448

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[methyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]butanimidamide?
The IUPAC name of N'-hydroxy-3-[methyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]butanimidamide (CID 103002979) is N'-hydroxy-3-[methyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]butanimidamide.
What is the SMILES notation for N'-hydroxy-3-[methyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]butanimidamide?
The canonical SMILES for N'-hydroxy-3-[methyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]butanimidamide is CC(CC(N)=NO)N(C)CCc1ccnn1C.
What is the InChIKey of N'-hydroxy-3-[methyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]butanimidamide?
The InChIKey is XFJWPAOCIIBPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O/c1-9(8-11(12)14-17)15(2)7-5-10-4-6-13-16(10)3/h4,6,9,17H,5,7-8H2,1-3H3,(H2,12,14).
What are the key properties of N'-hydroxy-3-[methyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]butanimidamide?
N'-hydroxy-3-[methyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]butanimidamide has a molecular weight of 239.32 g/mol, XLogP of 0.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[methyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]butanimidamide is sourced from PubChem (CID 103002979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).