2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N'-hydroxy-3-methylbenzenecarboximidamide

C13H15ClN4O — CID 107109563

IUPAC2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N'-hydroxy-3-methylbenzenecarboximidamide
SMILESCc1cccc(/C(N)=N/O)c1-n1nc(C)c(Cl)c1C
InChIInChI=1S/C13H15ClN4O/c1-7-5-4-6-10(13(15)17-19)12(7)18-9(3)11(14)8(2)16-18/h4-6,19H,1-3H3,(H2,15,17)
InChIKeyCLGDCBSSSQXAIG-UHFFFAOYSA-N
MW278.74 g/mol
LogP2.55
Rot. Bonds2

About 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N'-hydroxy-3-methylbenzenecarboximidamide

2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N'-hydroxy-3-methylbenzenecarboximidamide (PubChem CID 107109563) has the molecular formula C13H15ClN4O and a molecular weight of 278.74 g/mol. Its IUPAC name is 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N'-hydroxy-3-methylbenzenecarboximidamide.

Molecular Properties

Compound Name2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N'-hydroxy-3-methylbenzenecarboximidamide
PubChem CID107109563
Molecular FormulaC13H15ClN4O
Molecular Weight278.74 g/mol
Exact Mass278.09
IUPAC Name2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N'-hydroxy-3-methylbenzenecarboximidamide
SMILESCc1cccc(/C(N)=N/O)c1-n1nc(C)c(Cl)c1C
InChIInChI=1S/C13H15ClN4O/c1-7-5-4-6-10(13(15)17-19)12(7)18-9(3)11(14)8(2)16-18/h4-6,19H,1-3H3,(H2,15,17)
InChIKeyCLGDCBSSSQXAIG-UHFFFAOYSA-N
XLogP2.55
TPSA76.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 52.55
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-methylpyrazol-1-yl)-N'-hydroxy-3-methylbenzenecarboximidamide
CID 107109578
2-(4,5-dimethylimidazol-1-yl)-N'-hydroxy-3-methylbenzenecarboximidamide
CID 107109567
3-amino-2-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoic acid
CID 112579483
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-5-chloro-N'-hydroxybenzenecarboximidamide
CID 76944784
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
[2-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]methanamine
CID 19627381
N'-hydroxy-2-methoxy-3-methylbenzenecarboximidamide
CID 88561585
2-(2,5-dimethylpiperidin-1-yl)-N'-hydroxy-3-methylbenzenecarboximidamide
CID 107109406
2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 77103786
(1S)-1-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]ethanamine
CID 114058848
4-chloro-2-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-methylaniline
CID 112740943

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N'-hydroxy-3-methylbenzenecarboximidamide?
The IUPAC name of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N'-hydroxy-3-methylbenzenecarboximidamide (CID 107109563) is 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N'-hydroxy-3-methylbenzenecarboximidamide.
What is the SMILES notation for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N'-hydroxy-3-methylbenzenecarboximidamide?
The canonical SMILES for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N'-hydroxy-3-methylbenzenecarboximidamide is Cc1cccc(/C(N)=N/O)c1-n1nc(C)c(Cl)c1C.
What is the InChIKey of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N'-hydroxy-3-methylbenzenecarboximidamide?
The InChIKey is CLGDCBSSSQXAIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O/c1-7-5-4-6-10(13(15)17-19)12(7)18-9(3)11(14)8(2)16-18/h4-6,19H,1-3H3,(H2,15,17).
What are the key properties of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N'-hydroxy-3-methylbenzenecarboximidamide?
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N'-hydroxy-3-methylbenzenecarboximidamide has a molecular weight of 278.74 g/mol, XLogP of 2.55, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N'-hydroxy-3-methylbenzenecarboximidamide is sourced from PubChem (CID 107109563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).