N'-hydroxy-2-(4-methylpyrazol-1-yl)benzenecarboximidamide

C11H12N4O — CID 60872141

IUPACN'-hydroxy-2-(4-methylpyrazol-1-yl)benzenecarboximidamide
SMILESCc1cnn(-c2ccccc2/C(N)=N/O)c1
InChIInChI=1S/C11H12N4O/c1-8-6-13-15(7-8)10-5-3-2-4-9(10)11(12)14-16/h2-7,16H,1H3,(H2,12,14)
InChIKeyRLLOUUCJNKOOOT-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.28
Rot. Bonds2

About N'-hydroxy-2-(4-methylpyrazol-1-yl)benzenecarboximidamide

N'-hydroxy-2-(4-methylpyrazol-1-yl)benzenecarboximidamide (PubChem CID 60872141) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is N'-hydroxy-2-(4-methylpyrazol-1-yl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(4-methylpyrazol-1-yl)benzenecarboximidamide
PubChem CID60872141
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC NameN'-hydroxy-2-(4-methylpyrazol-1-yl)benzenecarboximidamide
SMILESCc1cnn(-c2ccccc2/C(N)=N/O)c1
InChIInChI=1S/C11H12N4O/c1-8-6-13-15(7-8)10-5-3-2-4-9(10)11(12)14-16/h2-7,16H,1H3,(H2,12,14)
InChIKeyRLLOUUCJNKOOOT-UHFFFAOYSA-N
XLogP1.28
TPSA76.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.28
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-methylpyrazol-1-yl)benzenecarboximidamide
CID 60873112
2-(4-chloropyrazol-1-yl)-N'-hydroxy-4-methylbenzenecarboximidamide
CID 62307108
4-methyl-1-(2-methylphenyl)pyrazole
CID 12902538
N'-hydroxy-5-methyl-2-[4-(trifluoromethyl)pyrazol-1-yl]benzenecarboximidamide
CID 107930080
2-methyl-6-(4-methylpyrazol-1-yl)aniline
CID 84661085
5-chloro-2-(4-methylpyrazol-1-yl)benzenecarboximidamide
CID 62494449
2-chloro-6-(4-methylpyrazol-1-yl)benzenecarbothioamide
CID 62497554
2-(3,4-dimethylpyrrolidin-1-yl)-N'-hydroxybenzenecarboximidamide
CID 79189095
2-(4-bromopyrazol-1-yl)-4-chloro-N'-hydroxybenzenecarboximidamide
CID 55182153
2-(4-methylpyrazol-1-yl)pyridine-3-carbothioamide
CID 60872533
N'-hydroxy-2-(4-propylpiperazin-1-yl)benzenecarboximidamide
CID 43199964
4-chloro-N'-hydroxy-2-[4-(trifluoromethyl)pyrazol-1-yl]benzenecarboximidamide
CID 77021985

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(4-methylpyrazol-1-yl)benzenecarboximidamide?
The IUPAC name of N'-hydroxy-2-(4-methylpyrazol-1-yl)benzenecarboximidamide (CID 60872141) is N'-hydroxy-2-(4-methylpyrazol-1-yl)benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-2-(4-methylpyrazol-1-yl)benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-2-(4-methylpyrazol-1-yl)benzenecarboximidamide is Cc1cnn(-c2ccccc2/C(N)=N/O)c1.
What is the InChIKey of N'-hydroxy-2-(4-methylpyrazol-1-yl)benzenecarboximidamide?
The InChIKey is RLLOUUCJNKOOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c1-8-6-13-15(7-8)10-5-3-2-4-9(10)11(12)14-16/h2-7,16H,1H3,(H2,12,14).
What are the key properties of N'-hydroxy-2-(4-methylpyrazol-1-yl)benzenecarboximidamide?
N'-hydroxy-2-(4-methylpyrazol-1-yl)benzenecarboximidamide has a molecular weight of 216.24 g/mol, XLogP of 1.28, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(4-methylpyrazol-1-yl)benzenecarboximidamide is sourced from PubChem (CID 60872141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).