5-[[1-(4-chlorophenyl)pyrazol-4-yl]amino]-N'-hydroxypyridine-2-carboximidamide

C15H13ClN6O — CID 164936180

IUPAC5-[[1-(4-chlorophenyl)pyrazol-4-yl]amino]-N'-hydroxypyridine-2-carboximidamide
SMILESN/C(=N\O)c1ccc(Nc2cnn(-c3ccc(Cl)cc3)c2)cn1
InChIInChI=1S/C15H13ClN6O/c16-10-1-4-13(5-2-10)22-9-12(8-19-22)20-11-3-6-14(18-7-11)15(17)21-23/h1-9,20,23H,(H2,17,21)
InChIKeyVXOHGYVABSOUNX-UHFFFAOYSA-N
MW328.76 g/mol
LogP2.76
Rot. Bonds4

About 5-[[1-(4-chlorophenyl)pyrazol-4-yl]amino]-N'-hydroxypyridine-2-carboximidamide

5-[[1-(4-chlorophenyl)pyrazol-4-yl]amino]-N'-hydroxypyridine-2-carboximidamide (PubChem CID 164936180) has the molecular formula C15H13ClN6O and a molecular weight of 328.76 g/mol. Its IUPAC name is 5-[[1-(4-chlorophenyl)pyrazol-4-yl]amino]-N'-hydroxypyridine-2-carboximidamide.

Molecular Properties

Compound Name5-[[1-(4-chlorophenyl)pyrazol-4-yl]amino]-N'-hydroxypyridine-2-carboximidamide
PubChem CID164936180
Molecular FormulaC15H13ClN6O
Molecular Weight328.76 g/mol
Exact Mass328.08
IUPAC Name5-[[1-(4-chlorophenyl)pyrazol-4-yl]amino]-N'-hydroxypyridine-2-carboximidamide
SMILESN/C(=N\O)c1ccc(Nc2cnn(-c3ccc(Cl)cc3)c2)cn1
InChIInChI=1S/C15H13ClN6O/c16-10-1-4-13(5-2-10)22-9-12(8-19-22)20-11-3-6-14(18-7-11)15(17)21-23/h1-9,20,23H,(H2,17,21)
InChIKeyVXOHGYVABSOUNX-UHFFFAOYSA-N
XLogP2.76
TPSA101.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.76
LogP ≤ 52.76
H-Bond Donors ≤ 53
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 5-[[1-(4-chlorophenyl)pyrazol-4-yl]amino]-N'-hydroxypyridine-2-carboximidamide?
The IUPAC name of 5-[[1-(4-chlorophenyl)pyrazol-4-yl]amino]-N'-hydroxypyridine-2-carboximidamide (CID 164936180) is 5-[[1-(4-chlorophenyl)pyrazol-4-yl]amino]-N'-hydroxypyridine-2-carboximidamide.
What is the SMILES notation for 5-[[1-(4-chlorophenyl)pyrazol-4-yl]amino]-N'-hydroxypyridine-2-carboximidamide?
The canonical SMILES for 5-[[1-(4-chlorophenyl)pyrazol-4-yl]amino]-N'-hydroxypyridine-2-carboximidamide is N/C(=N\O)c1ccc(Nc2cnn(-c3ccc(Cl)cc3)c2)cn1.
What is the InChIKey of 5-[[1-(4-chlorophenyl)pyrazol-4-yl]amino]-N'-hydroxypyridine-2-carboximidamide?
The InChIKey is VXOHGYVABSOUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN6O/c16-10-1-4-13(5-2-10)22-9-12(8-19-22)20-11-3-6-14(18-7-11)15(17)21-23/h1-9,20,23H,(H2,17,21).
What are the key properties of 5-[[1-(4-chlorophenyl)pyrazol-4-yl]amino]-N'-hydroxypyridine-2-carboximidamide?
5-[[1-(4-chlorophenyl)pyrazol-4-yl]amino]-N'-hydroxypyridine-2-carboximidamide has a molecular weight of 328.76 g/mol, XLogP of 2.76, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(4-chlorophenyl)pyrazol-4-yl]amino]-N'-hydroxypyridine-2-carboximidamide is sourced from PubChem (CID 164936180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).