N'-hydroxy-1,3-dimethyl-5-[methyl-(1-methylpiperidin-4-yl)amino]pyrazole-4-carboximidamide

C13H24N6O — CID 76952151

IUPACN'-hydroxy-1,3-dimethyl-5-[methyl-(1-methylpiperidin-4-yl)amino]pyrazole-4-carboximidamide
SMILESCc1nn(C)c(N(C)C2CCN(C)CC2)c1C(N)=NO
InChIInChI=1S/C13H24N6O/c1-9-11(12(14)16-20)13(19(4)15-9)18(3)10-5-7-17(2)8-6-10/h10,20H,5-8H2,1-4H3,(H2,14,16)
InChIKeyDOARHSNLNXPBPL-UHFFFAOYSA-N
MW280.38 g/mol
LogP0.35
Rot. Bonds3

About N'-hydroxy-1,3-dimethyl-5-[methyl-(1-methylpiperidin-4-yl)amino]pyrazole-4-carboximidamide

N'-hydroxy-1,3-dimethyl-5-[methyl-(1-methylpiperidin-4-yl)amino]pyrazole-4-carboximidamide (PubChem CID 76952151) has the molecular formula C13H24N6O and a molecular weight of 280.38 g/mol. Its IUPAC name is N'-hydroxy-1,3-dimethyl-5-[methyl-(1-methylpiperidin-4-yl)amino]pyrazole-4-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1,3-dimethyl-5-[methyl-(1-methylpiperidin-4-yl)amino]pyrazole-4-carboximidamide
PubChem CID76952151
Molecular FormulaC13H24N6O
Molecular Weight280.38 g/mol
Exact Mass280.20
IUPAC NameN'-hydroxy-1,3-dimethyl-5-[methyl-(1-methylpiperidin-4-yl)amino]pyrazole-4-carboximidamide
SMILESCc1nn(C)c(N(C)C2CCN(C)CC2)c1C(N)=NO
InChIInChI=1S/C13H24N6O/c1-9-11(12(14)16-20)13(19(4)15-9)18(3)10-5-7-17(2)8-6-10/h10,20H,5-8H2,1-4H3,(H2,14,16)
InChIKeyDOARHSNLNXPBPL-UHFFFAOYSA-N
XLogP0.35
TPSA82.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 50.35
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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-1,3-dimethyl-5-[methyl-(1-methylpiperidin-4-yl)amino]pyrazole-4-carboximidamide?
The IUPAC name of N'-hydroxy-1,3-dimethyl-5-[methyl-(1-methylpiperidin-4-yl)amino]pyrazole-4-carboximidamide (CID 76952151) is N'-hydroxy-1,3-dimethyl-5-[methyl-(1-methylpiperidin-4-yl)amino]pyrazole-4-carboximidamide.
What is the SMILES notation for N'-hydroxy-1,3-dimethyl-5-[methyl-(1-methylpiperidin-4-yl)amino]pyrazole-4-carboximidamide?
The canonical SMILES for N'-hydroxy-1,3-dimethyl-5-[methyl-(1-methylpiperidin-4-yl)amino]pyrazole-4-carboximidamide is Cc1nn(C)c(N(C)C2CCN(C)CC2)c1C(N)=NO.
What is the InChIKey of N'-hydroxy-1,3-dimethyl-5-[methyl-(1-methylpiperidin-4-yl)amino]pyrazole-4-carboximidamide?
The InChIKey is DOARHSNLNXPBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N6O/c1-9-11(12(14)16-20)13(19(4)15-9)18(3)10-5-7-17(2)8-6-10/h10,20H,5-8H2,1-4H3,(H2,14,16).
What are the key properties of N'-hydroxy-1,3-dimethyl-5-[methyl-(1-methylpiperidin-4-yl)amino]pyrazole-4-carboximidamide?
N'-hydroxy-1,3-dimethyl-5-[methyl-(1-methylpiperidin-4-yl)amino]pyrazole-4-carboximidamide has a molecular weight of 280.38 g/mol, XLogP of 0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1,3-dimethyl-5-[methyl-(1-methylpiperidin-4-yl)amino]pyrazole-4-carboximidamide is sourced from PubChem (CID 76952151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).