N'-hydroxy-1,3-dimethyl-5-(2-piperidin-1-ylethoxy)pyrazole-4-carboximidamide

C13H23N5O2 — CID 76951959

IUPACN'-hydroxy-1,3-dimethyl-5-(2-piperidin-1-ylethoxy)pyrazole-4-carboximidamide
SMILESCc1nn(C)c(OCCN2CCCCC2)c1C(N)=NO
InChIInChI=1S/C13H23N5O2/c1-10-11(12(14)16-19)13(17(2)15-10)20-9-8-18-6-4-3-5-7-18/h19H,3-9H2,1-2H3,(H2,14,16)
InChIKeyADJFYNMLUIGDRA-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.69
Rot. Bonds5

About N'-hydroxy-1,3-dimethyl-5-(2-piperidin-1-ylethoxy)pyrazole-4-carboximidamide

N'-hydroxy-1,3-dimethyl-5-(2-piperidin-1-ylethoxy)pyrazole-4-carboximidamide (PubChem CID 76951959) has the molecular formula C13H23N5O2 and a molecular weight of 281.36 g/mol. Its IUPAC name is N'-hydroxy-1,3-dimethyl-5-(2-piperidin-1-ylethoxy)pyrazole-4-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1,3-dimethyl-5-(2-piperidin-1-ylethoxy)pyrazole-4-carboximidamide
PubChem CID76951959
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC NameN'-hydroxy-1,3-dimethyl-5-(2-piperidin-1-ylethoxy)pyrazole-4-carboximidamide
SMILESCc1nn(C)c(OCCN2CCCCC2)c1C(N)=NO
InChIInChI=1S/C13H23N5O2/c1-10-11(12(14)16-19)13(17(2)15-10)20-9-8-18-6-4-3-5-7-18/h19H,3-9H2,1-2H3,(H2,14,16)
InChIKeyADJFYNMLUIGDRA-UHFFFAOYSA-N
XLogP0.69
TPSA88.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.69
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-(2-piperidin-1-ylethoxy)pyrazole-4-carboximidamide?
The IUPAC name of N'-hydroxy-1,3-dimethyl-5-(2-piperidin-1-ylethoxy)pyrazole-4-carboximidamide (CID 76951959) is N'-hydroxy-1,3-dimethyl-5-(2-piperidin-1-ylethoxy)pyrazole-4-carboximidamide.
What is the SMILES notation for N'-hydroxy-1,3-dimethyl-5-(2-piperidin-1-ylethoxy)pyrazole-4-carboximidamide?
The canonical SMILES for N'-hydroxy-1,3-dimethyl-5-(2-piperidin-1-ylethoxy)pyrazole-4-carboximidamide is Cc1nn(C)c(OCCN2CCCCC2)c1C(N)=NO.
What is the InChIKey of N'-hydroxy-1,3-dimethyl-5-(2-piperidin-1-ylethoxy)pyrazole-4-carboximidamide?
The InChIKey is ADJFYNMLUIGDRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2/c1-10-11(12(14)16-19)13(17(2)15-10)20-9-8-18-6-4-3-5-7-18/h19H,3-9H2,1-2H3,(H2,14,16).
What are the key properties of N'-hydroxy-1,3-dimethyl-5-(2-piperidin-1-ylethoxy)pyrazole-4-carboximidamide?
N'-hydroxy-1,3-dimethyl-5-(2-piperidin-1-ylethoxy)pyrazole-4-carboximidamide has a molecular weight of 281.36 g/mol, XLogP of 0.69, 5 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-(2-piperidin-1-ylethoxy)pyrazole-4-carboximidamide is sourced from PubChem (CID 76951959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).