3-[(4-chloropyrazol-1-yl)methyl]-N'-hydroxypyridine-2-carboximidamide

C10H10ClN5O — CID 135971277

IUPAC3-[(4-chloropyrazol-1-yl)methyl]-N'-hydroxypyridine-2-carboximidamide
SMILESN/C(=N/O)c1ncccc1Cn1cc(Cl)cn1
InChIInChI=1S/C10H10ClN5O/c11-8-4-14-16(6-8)5-7-2-1-3-13-9(7)10(12)15-17/h1-4,6,17H,5H2,(H2,12,15)
InChIKeyVETGWZNVDPDMLB-UHFFFAOYSA-N
MW251.68 g/mol
LogP1.07
Rot. Bonds3

About 3-[(4-chloropyrazol-1-yl)methyl]-N'-hydroxypyridine-2-carboximidamide

3-[(4-chloropyrazol-1-yl)methyl]-N'-hydroxypyridine-2-carboximidamide (PubChem CID 135971277) has the molecular formula C10H10ClN5O and a molecular weight of 251.68 g/mol. Its IUPAC name is 3-[(4-chloropyrazol-1-yl)methyl]-N'-hydroxypyridine-2-carboximidamide.

Molecular Properties

Compound Name3-[(4-chloropyrazol-1-yl)methyl]-N'-hydroxypyridine-2-carboximidamide
PubChem CID135971277
Molecular FormulaC10H10ClN5O
Molecular Weight251.68 g/mol
Exact Mass251.06
IUPAC Name3-[(4-chloropyrazol-1-yl)methyl]-N'-hydroxypyridine-2-carboximidamide
SMILESN/C(=N/O)c1ncccc1Cn1cc(Cl)cn1
InChIInChI=1S/C10H10ClN5O/c11-8-4-14-16(6-8)5-7-2-1-3-13-9(7)10(12)15-17/h1-4,6,17H,5H2,(H2,12,15)
InChIKeyVETGWZNVDPDMLB-UHFFFAOYSA-N
XLogP1.07
TPSA89.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.68
LogP ≤ 51.07
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'}

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Related Compounds

4-[(4-chloropyrazol-1-yl)methyl]-N'-hydroxybenzenecarboximidamide
CID 54909727
3-[(cyclohexylamino)methyl]-N'-hydroxypyridine-2-carboximidamide
CID 137274717
8-[(4-chloropyrazol-1-yl)methyl]-6-fluoroquinoline
CID 52731668
3-[(4-chloropyrazol-1-yl)methyl]-2-methylaniline
CID 61036281
N'-hydroxy-3-[[(3-methylcyclobutyl)amino]methyl]pyridine-2-carboximidamide
CID 137000485
3-[(4-methylpyrazol-1-yl)methyl]pyridine-2-carboxylic acid
CID 63073046
N'-hydroxy-2-[(4-iodopyrazol-1-yl)methyl]benzenecarboximidamide
CID 77039474
1-[(2-chloro-3-pyridinyl)methyl]pyrazole-4-carbaldehyde
CID 164719188
3-[(2,6-dibromoanilino)methyl]-N'-hydroxypyridine-2-carboximidamide
CID 136716818
3-[(but-2-ynylamino)methyl]-N'-hydroxypyridine-2-carboximidamide
CID 136954347
N'-hydroxy-3-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]pyridine-2-carboximidamide
CID 136925059
3-[(cyclobutylmethylamino)methyl]-N'-hydroxypyridine-2-carboximidamide
CID 137273186

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloropyrazol-1-yl)methyl]-N'-hydroxypyridine-2-carboximidamide?
The IUPAC name of 3-[(4-chloropyrazol-1-yl)methyl]-N'-hydroxypyridine-2-carboximidamide (CID 135971277) is 3-[(4-chloropyrazol-1-yl)methyl]-N'-hydroxypyridine-2-carboximidamide.
What is the SMILES notation for 3-[(4-chloropyrazol-1-yl)methyl]-N'-hydroxypyridine-2-carboximidamide?
The canonical SMILES for 3-[(4-chloropyrazol-1-yl)methyl]-N'-hydroxypyridine-2-carboximidamide is N/C(=N/O)c1ncccc1Cn1cc(Cl)cn1.
What is the InChIKey of 3-[(4-chloropyrazol-1-yl)methyl]-N'-hydroxypyridine-2-carboximidamide?
The InChIKey is VETGWZNVDPDMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN5O/c11-8-4-14-16(6-8)5-7-2-1-3-13-9(7)10(12)15-17/h1-4,6,17H,5H2,(H2,12,15).
What are the key properties of 3-[(4-chloropyrazol-1-yl)methyl]-N'-hydroxypyridine-2-carboximidamide?
3-[(4-chloropyrazol-1-yl)methyl]-N'-hydroxypyridine-2-carboximidamide has a molecular weight of 251.68 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloropyrazol-1-yl)methyl]-N'-hydroxypyridine-2-carboximidamide is sourced from PubChem (CID 135971277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).