2-(4-chloro-3-methylpyrazol-1-yl)-N'-hydroxy-3-methylbenzenecarboximidamide

C12H13ClN4O — CID 107109578

IUPAC2-(4-chloro-3-methylpyrazol-1-yl)-N'-hydroxy-3-methylbenzenecarboximidamide
SMILESCc1cccc(/C(N)=N/O)c1-n1cc(Cl)c(C)n1
InChIInChI=1S/C12H13ClN4O/c1-7-4-3-5-9(12(14)16-18)11(7)17-6-10(13)8(2)15-17/h3-6,18H,1-2H3,(H2,14,16)
InChIKeyLUCXGJBAZPSHES-UHFFFAOYSA-N
MW264.72 g/mol
LogP2.24
Rot. Bonds2

About 2-(4-chloro-3-methylpyrazol-1-yl)-N'-hydroxy-3-methylbenzenecarboximidamide

2-(4-chloro-3-methylpyrazol-1-yl)-N'-hydroxy-3-methylbenzenecarboximidamide (PubChem CID 107109578) has the molecular formula C12H13ClN4O and a molecular weight of 264.72 g/mol. Its IUPAC name is 2-(4-chloro-3-methylpyrazol-1-yl)-N'-hydroxy-3-methylbenzenecarboximidamide.

Molecular Properties

Compound Name2-(4-chloro-3-methylpyrazol-1-yl)-N'-hydroxy-3-methylbenzenecarboximidamide
PubChem CID107109578
Molecular FormulaC12H13ClN4O
Molecular Weight264.72 g/mol
Exact Mass264.08
IUPAC Name2-(4-chloro-3-methylpyrazol-1-yl)-N'-hydroxy-3-methylbenzenecarboximidamide
SMILESCc1cccc(/C(N)=N/O)c1-n1cc(Cl)c(C)n1
InChIInChI=1S/C12H13ClN4O/c1-7-4-3-5-9(12(14)16-18)11(7)17-6-10(13)8(2)15-17/h3-6,18H,1-2H3,(H2,14,16)
InChIKeyLUCXGJBAZPSHES-UHFFFAOYSA-N
XLogP2.24
TPSA76.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.72
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N'-hydroxy-3-methylbenzenecarboximidamide
CID 107109563
2-(4,5-dimethylimidazol-1-yl)-N'-hydroxy-3-methylbenzenecarboximidamide
CID 107109567
4-(4-chloro-3-methylpyrazol-1-yl)-N'-hydroxy-2-(trifluoromethyl)benzenecarboximidamide
CID 77037627
2-(4-chloro-3-methylpyrazol-1-yl)-6-methylaniline
CID 86676843
2-(2,5-dimethylpiperidin-1-yl)-N'-hydroxy-3-methylbenzenecarboximidamide
CID 107109406
4-chloro-1-(2-iodo-3-methylphenyl)-3-methylpyrazole
CID 71253218
2-chloro-N'-hydroxybenzenecarboximidamide
CID 3748706
N'-hydroxy-3-methyl-2-(2-propylimidazol-1-yl)benzenecarboximidamide
CID 107109573
N'-hydroxy-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-3-methylbenzenecarboximidamide
CID 107109376
N'-hydroxy-2-methoxy-3-methylbenzenecarboximidamide
CID 88561585
bis(2-chloro-N'-hydroxybenzenecarboximidamide);dihydrate
CID 139071341
N'-hydroxy-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-methylbenzenecarboximidamide
CID 107109442

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylpyrazol-1-yl)-N'-hydroxy-3-methylbenzenecarboximidamide?
The IUPAC name of 2-(4-chloro-3-methylpyrazol-1-yl)-N'-hydroxy-3-methylbenzenecarboximidamide (CID 107109578) is 2-(4-chloro-3-methylpyrazol-1-yl)-N'-hydroxy-3-methylbenzenecarboximidamide.
What is the SMILES notation for 2-(4-chloro-3-methylpyrazol-1-yl)-N'-hydroxy-3-methylbenzenecarboximidamide?
The canonical SMILES for 2-(4-chloro-3-methylpyrazol-1-yl)-N'-hydroxy-3-methylbenzenecarboximidamide is Cc1cccc(/C(N)=N/O)c1-n1cc(Cl)c(C)n1.
What is the InChIKey of 2-(4-chloro-3-methylpyrazol-1-yl)-N'-hydroxy-3-methylbenzenecarboximidamide?
The InChIKey is LUCXGJBAZPSHES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O/c1-7-4-3-5-9(12(14)16-18)11(7)17-6-10(13)8(2)15-17/h3-6,18H,1-2H3,(H2,14,16).
What are the key properties of 2-(4-chloro-3-methylpyrazol-1-yl)-N'-hydroxy-3-methylbenzenecarboximidamide?
2-(4-chloro-3-methylpyrazol-1-yl)-N'-hydroxy-3-methylbenzenecarboximidamide has a molecular weight of 264.72 g/mol, XLogP of 2.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylpyrazol-1-yl)-N'-hydroxy-3-methylbenzenecarboximidamide is sourced from PubChem (CID 107109578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).