2-(4-chloropyrazol-1-yl)-N'-hydroxy-4-methylbenzenecarboximidamide

C11H11ClN4O — CID 62307108

IUPAC2-(4-chloropyrazol-1-yl)-N'-hydroxy-4-methylbenzenecarboximidamide
SMILESCc1ccc(/C(N)=N/O)c(-n2cc(Cl)cn2)c1
InChIInChI=1S/C11H11ClN4O/c1-7-2-3-9(11(13)15-17)10(4-7)16-6-8(12)5-14-16/h2-6,17H,1H3,(H2,13,15)
InChIKeyFXQACSNLFDKVPD-UHFFFAOYSA-N
MW250.69 g/mol
LogP1.93
Rot. Bonds2

About 2-(4-chloropyrazol-1-yl)-N'-hydroxy-4-methylbenzenecarboximidamide

2-(4-chloropyrazol-1-yl)-N'-hydroxy-4-methylbenzenecarboximidamide (PubChem CID 62307108) has the molecular formula C11H11ClN4O and a molecular weight of 250.69 g/mol. Its IUPAC name is 2-(4-chloropyrazol-1-yl)-N'-hydroxy-4-methylbenzenecarboximidamide.

Molecular Properties

Compound Name2-(4-chloropyrazol-1-yl)-N'-hydroxy-4-methylbenzenecarboximidamide
PubChem CID62307108
Molecular FormulaC11H11ClN4O
Molecular Weight250.69 g/mol
Exact Mass250.06
IUPAC Name2-(4-chloropyrazol-1-yl)-N'-hydroxy-4-methylbenzenecarboximidamide
SMILESCc1ccc(/C(N)=N/O)c(-n2cc(Cl)cn2)c1
InChIInChI=1S/C11H11ClN4O/c1-7-2-3-9(11(13)15-17)10(4-7)16-6-8(12)5-14-16/h2-6,17H,1H3,(H2,13,15)
InChIKeyFXQACSNLFDKVPD-UHFFFAOYSA-N
XLogP1.93
TPSA76.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 51.93
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-bromopyrazol-1-yl)-4-chloro-N'-hydroxybenzenecarboximidamide
CID 55182153
4-chloro-N'-hydroxy-2-[4-(trifluoromethyl)pyrazol-1-yl]benzenecarboximidamide
CID 77021985
N'-hydroxy-2-(4-methylpyrazol-1-yl)benzenecarboximidamide
CID 60872141
N'-hydroxy-5-methyl-2-[4-(trifluoromethyl)pyrazol-1-yl]benzenecarboximidamide
CID 107930080
2-(azepan-1-yl)-N'-hydroxy-4-methylbenzenecarboximidamide
CID 76938994
N'-hydroxy-4-methyl-2-(2-methylimidazol-1-yl)benzenecarboximidamide
CID 62308838
2-fluoro-N'-hydroxy-4-methylbenzenecarboximidamide
CID 125466399
1-[4-bromo-2-(4-chloropyrazol-1-yl)phenyl]ethanone
CID 82966831
4-chloro-N'-hydroxy-2-(3-propan-2-ylpyrazol-1-yl)benzenecarboximidamide
CID 76984837
2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N'-hydroxy-4-methylbenzenecarboximidamide
CID 76938898
4-methyl-2-(4-phenylpyrazol-1-yl)benzoic acid
CID 62770302
2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N'-hydroxy-4-methylbenzenecarboximidamide
CID 76982046

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloropyrazol-1-yl)-N'-hydroxy-4-methylbenzenecarboximidamide?
The IUPAC name of 2-(4-chloropyrazol-1-yl)-N'-hydroxy-4-methylbenzenecarboximidamide (CID 62307108) is 2-(4-chloropyrazol-1-yl)-N'-hydroxy-4-methylbenzenecarboximidamide.
What is the SMILES notation for 2-(4-chloropyrazol-1-yl)-N'-hydroxy-4-methylbenzenecarboximidamide?
The canonical SMILES for 2-(4-chloropyrazol-1-yl)-N'-hydroxy-4-methylbenzenecarboximidamide is Cc1ccc(/C(N)=N/O)c(-n2cc(Cl)cn2)c1.
What is the InChIKey of 2-(4-chloropyrazol-1-yl)-N'-hydroxy-4-methylbenzenecarboximidamide?
The InChIKey is FXQACSNLFDKVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O/c1-7-2-3-9(11(13)15-17)10(4-7)16-6-8(12)5-14-16/h2-6,17H,1H3,(H2,13,15).
What are the key properties of 2-(4-chloropyrazol-1-yl)-N'-hydroxy-4-methylbenzenecarboximidamide?
2-(4-chloropyrazol-1-yl)-N'-hydroxy-4-methylbenzenecarboximidamide has a molecular weight of 250.69 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloropyrazol-1-yl)-N'-hydroxy-4-methylbenzenecarboximidamide is sourced from PubChem (CID 62307108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).