N'-hydroxy-2-(4-phenylpyrazol-1-yl)pyrimidine-4-carboximidamide

C14H12N6O — CID 136907056

IUPACN'-hydroxy-2-(4-phenylpyrazol-1-yl)pyrimidine-4-carboximidamide
SMILESN/C(=N/O)c1ccnc(-n2cc(-c3ccccc3)cn2)n1
InChIInChI=1S/C14H12N6O/c15-13(19-21)12-6-7-16-14(18-12)20-9-11(8-17-20)10-4-2-1-3-5-10/h1-9,21H,(H2,15,19)
InChIKeyLIBYNWDSYZYJCE-UHFFFAOYSA-N
MW280.29 g/mol
LogP1.42
Rot. Bonds3

About N'-hydroxy-2-(4-phenylpyrazol-1-yl)pyrimidine-4-carboximidamide

N'-hydroxy-2-(4-phenylpyrazol-1-yl)pyrimidine-4-carboximidamide (PubChem CID 136907056) has the molecular formula C14H12N6O and a molecular weight of 280.29 g/mol. Its IUPAC name is N'-hydroxy-2-(4-phenylpyrazol-1-yl)pyrimidine-4-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(4-phenylpyrazol-1-yl)pyrimidine-4-carboximidamide
PubChem CID136907056
Molecular FormulaC14H12N6O
Molecular Weight280.29 g/mol
Exact Mass280.11
IUPAC NameN'-hydroxy-2-(4-phenylpyrazol-1-yl)pyrimidine-4-carboximidamide
SMILESN/C(=N/O)c1ccnc(-n2cc(-c3ccccc3)cn2)n1
InChIInChI=1S/C14H12N6O/c15-13(19-21)12-6-7-16-14(18-12)20-9-11(8-17-20)10-4-2-1-3-5-10/h1-9,21H,(H2,15,19)
InChIKeyLIBYNWDSYZYJCE-UHFFFAOYSA-N
XLogP1.42
TPSA102.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 51.42
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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Related Compounds

N'-hydroxy-2-phenoxypyrimidine-4-carboximidamide
CID 136907091
2-(4-carboxypyrazol-1-yl)pyrimidine-4-carboxylic acid
CID 84796755
4-[1-(1-aminoisoquinolin-4-yl)pyrazol-4-yl]-N'-hydroxybenzenecarboximidamide
CID 134276641
2-(3,3-dimethylpyrrolidin-1-yl)-N'-hydroxypyrimidine-4-carboximidamide
CID 136906855
5-bromo-6-chloro-2-(4-phenylpyrazol-1-yl)pyrimidin-4-amine
CID 90303712
[6-(4-phenylpyrazol-1-yl)-2-pyridinyl]methanamine
CID 55112671
N'-hydroxy-2-(4-methoxypiperidin-1-yl)pyrimidine-4-carboximidamide
CID 136986695
N'-hydroxy-2-(4-methylsulfonylpiperazin-1-yl)pyrimidine-4-carboximidamide
CID 136906717
2-(4,4-diethylpiperidin-1-yl)-N'-hydroxypyrimidine-4-carboximidamide
CID 136906728
2-[benzyl(methyl)amino]-N'-hydroxypyrimidine-4-carboximidamide
CID 136906340
[6-(4-phenylpyrazol-1-yl)-2-pyridinyl]methanol
CID 55113203
5-(4-phenylpyrazol-1-yl)pyrazin-2-amine
CID 80663482

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(4-phenylpyrazol-1-yl)pyrimidine-4-carboximidamide?
The IUPAC name of N'-hydroxy-2-(4-phenylpyrazol-1-yl)pyrimidine-4-carboximidamide (CID 136907056) is N'-hydroxy-2-(4-phenylpyrazol-1-yl)pyrimidine-4-carboximidamide.
What is the SMILES notation for N'-hydroxy-2-(4-phenylpyrazol-1-yl)pyrimidine-4-carboximidamide?
The canonical SMILES for N'-hydroxy-2-(4-phenylpyrazol-1-yl)pyrimidine-4-carboximidamide is N/C(=N/O)c1ccnc(-n2cc(-c3ccccc3)cn2)n1.
What is the InChIKey of N'-hydroxy-2-(4-phenylpyrazol-1-yl)pyrimidine-4-carboximidamide?
The InChIKey is LIBYNWDSYZYJCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N6O/c15-13(19-21)12-6-7-16-14(18-12)20-9-11(8-17-20)10-4-2-1-3-5-10/h1-9,21H,(H2,15,19).
What are the key properties of N'-hydroxy-2-(4-phenylpyrazol-1-yl)pyrimidine-4-carboximidamide?
N'-hydroxy-2-(4-phenylpyrazol-1-yl)pyrimidine-4-carboximidamide has a molecular weight of 280.29 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(4-phenylpyrazol-1-yl)pyrimidine-4-carboximidamide is sourced from PubChem (CID 136907056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).