N'-hydroxy-3-[methyl-[(1-methylpyrazol-3-yl)methyl]amino]butanimidamide

C10H19N5O — CID 82866740

IUPACN'-hydroxy-3-[methyl-[(1-methylpyrazol-3-yl)methyl]amino]butanimidamide
SMILESCC(C/C(N)=N/O)N(C)Cc1ccn(C)n1
InChIInChI=1S/C10H19N5O/c1-8(6-10(11)13-16)14(2)7-9-4-5-15(3)12-9/h4-5,8,16H,6-7H2,1-3H3,(H2,11,13)
InChIKeyCBPYYDODZQRFIR-UHFFFAOYSA-N
MW225.30 g/mol
LogP0.38
Rot. Bonds5

About N'-hydroxy-3-[methyl-[(1-methylpyrazol-3-yl)methyl]amino]butanimidamide

N'-hydroxy-3-[methyl-[(1-methylpyrazol-3-yl)methyl]amino]butanimidamide (PubChem CID 82866740) has the molecular formula C10H19N5O and a molecular weight of 225.30 g/mol. Its IUPAC name is N'-hydroxy-3-[methyl-[(1-methylpyrazol-3-yl)methyl]amino]butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[methyl-[(1-methylpyrazol-3-yl)methyl]amino]butanimidamide
PubChem CID82866740
Molecular FormulaC10H19N5O
Molecular Weight225.30 g/mol
Exact Mass225.16
IUPAC NameN'-hydroxy-3-[methyl-[(1-methylpyrazol-3-yl)methyl]amino]butanimidamide
SMILESCC(C/C(N)=N/O)N(C)Cc1ccn(C)n1
InChIInChI=1S/C10H19N5O/c1-8(6-10(11)13-16)14(2)7-9-4-5-15(3)12-9/h4-5,8,16H,6-7H2,1-3H3,(H2,11,13)
InChIKeyCBPYYDODZQRFIR-UHFFFAOYSA-N
XLogP0.38
TPSA79.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 50.38
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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[methyl-[(1-methylpyrazol-3-yl)methyl]amino]butanimidamide?
The IUPAC name of N'-hydroxy-3-[methyl-[(1-methylpyrazol-3-yl)methyl]amino]butanimidamide (CID 82866740) is N'-hydroxy-3-[methyl-[(1-methylpyrazol-3-yl)methyl]amino]butanimidamide.
What is the SMILES notation for N'-hydroxy-3-[methyl-[(1-methylpyrazol-3-yl)methyl]amino]butanimidamide?
The canonical SMILES for N'-hydroxy-3-[methyl-[(1-methylpyrazol-3-yl)methyl]amino]butanimidamide is CC(C/C(N)=N/O)N(C)Cc1ccn(C)n1.
What is the InChIKey of N'-hydroxy-3-[methyl-[(1-methylpyrazol-3-yl)methyl]amino]butanimidamide?
The InChIKey is CBPYYDODZQRFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O/c1-8(6-10(11)13-16)14(2)7-9-4-5-15(3)12-9/h4-5,8,16H,6-7H2,1-3H3,(H2,11,13).
What are the key properties of N'-hydroxy-3-[methyl-[(1-methylpyrazol-3-yl)methyl]amino]butanimidamide?
N'-hydroxy-3-[methyl-[(1-methylpyrazol-3-yl)methyl]amino]butanimidamide has a molecular weight of 225.30 g/mol, XLogP of 0.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[methyl-[(1-methylpyrazol-3-yl)methyl]amino]butanimidamide is sourced from PubChem (CID 82866740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).