N'-hydroxy-5-(3-propan-2-ylpyrazol-1-yl)pyridine-2-carboximidamide

C12H15N5O — CID 136990738

IUPACN'-hydroxy-5-(3-propan-2-ylpyrazol-1-yl)pyridine-2-carboximidamide
SMILESCC(C)c1ccn(-c2ccc(/C(N)=N/O)nc2)n1
InChIInChI=1S/C12H15N5O/c1-8(2)10-5-6-17(15-10)9-3-4-11(14-7-9)12(13)16-18/h3-8,18H,1-2H3,(H2,13,16)
InChIKeyWTSCZUWTZJVALP-UHFFFAOYSA-N
MW245.29 g/mol
LogP1.49
Rot. Bonds3

About N'-hydroxy-5-(3-propan-2-ylpyrazol-1-yl)pyridine-2-carboximidamide

N'-hydroxy-5-(3-propan-2-ylpyrazol-1-yl)pyridine-2-carboximidamide (PubChem CID 136990738) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is N'-hydroxy-5-(3-propan-2-ylpyrazol-1-yl)pyridine-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-5-(3-propan-2-ylpyrazol-1-yl)pyridine-2-carboximidamide
PubChem CID136990738
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC NameN'-hydroxy-5-(3-propan-2-ylpyrazol-1-yl)pyridine-2-carboximidamide
SMILESCC(C)c1ccn(-c2ccc(/C(N)=N/O)nc2)n1
InChIInChI=1S/C12H15N5O/c1-8(2)10-5-6-17(15-10)9-3-4-11(14-7-9)12(13)16-18/h3-8,18H,1-2H3,(H2,13,16)
InChIKeyWTSCZUWTZJVALP-UHFFFAOYSA-N
XLogP1.49
TPSA89.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 51.49
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'}

Analyze N'-hydroxy-5-(3-propan-2-ylpyrazol-1-yl)pyridine-2-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-(3-propan-2-ylpyrazol-1-yl)pyridine-2-carboximidamide?
The IUPAC name of N'-hydroxy-5-(3-propan-2-ylpyrazol-1-yl)pyridine-2-carboximidamide (CID 136990738) is N'-hydroxy-5-(3-propan-2-ylpyrazol-1-yl)pyridine-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-5-(3-propan-2-ylpyrazol-1-yl)pyridine-2-carboximidamide?
The canonical SMILES for N'-hydroxy-5-(3-propan-2-ylpyrazol-1-yl)pyridine-2-carboximidamide is CC(C)c1ccn(-c2ccc(/C(N)=N/O)nc2)n1.
What is the InChIKey of N'-hydroxy-5-(3-propan-2-ylpyrazol-1-yl)pyridine-2-carboximidamide?
The InChIKey is WTSCZUWTZJVALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-8(2)10-5-6-17(15-10)9-3-4-11(14-7-9)12(13)16-18/h3-8,18H,1-2H3,(H2,13,16).
What are the key properties of N'-hydroxy-5-(3-propan-2-ylpyrazol-1-yl)pyridine-2-carboximidamide?
N'-hydroxy-5-(3-propan-2-ylpyrazol-1-yl)pyridine-2-carboximidamide has a molecular weight of 245.29 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-(3-propan-2-ylpyrazol-1-yl)pyridine-2-carboximidamide is sourced from PubChem (CID 136990738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).