N'-hydroxy-4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butanimidamide

C11H21N5O — CID 79242381

IUPACN'-hydroxy-4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butanimidamide
SMILESCc1nn(C)c(C)c1CNCCCC(N)=NO
InChIInChI=1S/C11H21N5O/c1-8-10(9(2)16(3)14-8)7-13-6-4-5-11(12)15-17/h13,17H,4-7H2,1-3H3,(H2,12,15)
InChIKeyBGMANJAYLKUUMI-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.65
Rot. Bonds6

About N'-hydroxy-4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butanimidamide

N'-hydroxy-4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butanimidamide (PubChem CID 79242381) has the molecular formula C11H21N5O and a molecular weight of 239.32 g/mol. Its IUPAC name is N'-hydroxy-4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butanimidamide
PubChem CID79242381
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC NameN'-hydroxy-4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butanimidamide
SMILESCc1nn(C)c(C)c1CNCCCC(N)=NO
InChIInChI=1S/C11H21N5O/c1-8-10(9(2)16(3)14-8)7-13-6-4-5-11(12)15-17/h13,17H,4-7H2,1-3H3,(H2,12,15)
InChIKeyBGMANJAYLKUUMI-UHFFFAOYSA-N
XLogP0.65
TPSA88.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[(1,3,5-trimethylpyrazol-4-yl)methyl]octan-1-amine
CID 78911426
N-(4-amino-4-hydroxyiminobutyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 76952772
3-(4-methylpiperazin-1-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine
CID 28656946
N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pent-4-en-1-amine
CID 78993034
N'-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propane-1,3-diamine
CID 113410291
3-propan-2-yloxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine
CID 28727158
3,3-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]butan-1-amine
CID 112727542
N'-hydroxy-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butanimidamide
CID 79241428
2-pyrrolidin-1-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
CID 28654112
2-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propanamide
CID 79236503
2,2-dimethyl-6-[(1,3,5-trimethylpyrazol-4-yl)methylamino]hexanenitrile
CID 106709427
3-(2,2,2-trifluoroethoxy)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine
CID 112727734

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butanimidamide?
The IUPAC name of N'-hydroxy-4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butanimidamide (CID 79242381) is N'-hydroxy-4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butanimidamide.
What is the SMILES notation for N'-hydroxy-4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butanimidamide?
The canonical SMILES for N'-hydroxy-4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butanimidamide is Cc1nn(C)c(C)c1CNCCCC(N)=NO.
What is the InChIKey of N'-hydroxy-4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butanimidamide?
The InChIKey is BGMANJAYLKUUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O/c1-8-10(9(2)16(3)14-8)7-13-6-4-5-11(12)15-17/h13,17H,4-7H2,1-3H3,(H2,12,15).
What are the key properties of N'-hydroxy-4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butanimidamide?
N'-hydroxy-4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butanimidamide has a molecular weight of 239.32 g/mol, XLogP of 0.65, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butanimidamide is sourced from PubChem (CID 79242381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).