4-chloro-2-(3,5-diethylpyrazol-1-yl)-N'-hydroxybenzenecarboximidamide

C14H17ClN4O — CID 82694324

IUPAC4-chloro-2-(3,5-diethylpyrazol-1-yl)-N'-hydroxybenzenecarboximidamide
SMILESCCc1cc(CC)n(-c2cc(Cl)ccc2/C(N)=N/O)n1
InChIInChI=1S/C14H17ClN4O/c1-3-10-8-11(4-2)19(17-10)13-7-9(15)5-6-12(13)14(16)18-20/h5-8,20H,3-4H2,1-2H3,(H2,16,18)
InChIKeyVCOLXOQKDDYZNA-UHFFFAOYSA-N
MW292.77 g/mol
LogP2.74
Rot. Bonds4

About 4-chloro-2-(3,5-diethylpyrazol-1-yl)-N'-hydroxybenzenecarboximidamide

4-chloro-2-(3,5-diethylpyrazol-1-yl)-N'-hydroxybenzenecarboximidamide (PubChem CID 82694324) has the molecular formula C14H17ClN4O and a molecular weight of 292.77 g/mol. Its IUPAC name is 4-chloro-2-(3,5-diethylpyrazol-1-yl)-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-chloro-2-(3,5-diethylpyrazol-1-yl)-N'-hydroxybenzenecarboximidamide
PubChem CID82694324
Molecular FormulaC14H17ClN4O
Molecular Weight292.77 g/mol
Exact Mass292.11
IUPAC Name4-chloro-2-(3,5-diethylpyrazol-1-yl)-N'-hydroxybenzenecarboximidamide
SMILESCCc1cc(CC)n(-c2cc(Cl)ccc2/C(N)=N/O)n1
InChIInChI=1S/C14H17ClN4O/c1-3-10-8-11(4-2)19(17-10)13-7-9(15)5-6-12(13)14(16)18-20/h5-8,20H,3-4H2,1-2H3,(H2,16,18)
InChIKeyVCOLXOQKDDYZNA-UHFFFAOYSA-N
XLogP2.74
TPSA76.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.74
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

5-chloro-2-(3,5-diethylpyrazol-1-yl)-N'-hydroxybenzenecarboximidamide
CID 82693817
2-[(3,5-diethylpyrazol-1-yl)methyl]-N'-hydroxybenzenecarboximidamide
CID 82695186
4-chloro-N'-hydroxy-2-(3-propan-2-ylpyrazol-1-yl)benzenecarboximidamide
CID 76984837
1-[5-chloro-2-(3,5-diethylpyrazol-1-yl)phenyl]butan-2-amine
CID 114862591
4-chloro-2-(3,4-dimethylpyrrolidin-1-yl)-N'-hydroxybenzenecarboximidamide
CID 79187962
2-(3,5-diethylpyrazol-1-yl)-N'-hydroxy-6-methylpyridine-4-carboximidamide
CID 137013688
5-chloro-1-(2,4-dichlorophenyl)-3-ethylpyrazole
CID 66021764
2-(benzimidazol-1-yl)-4-chloro-N'-hydroxybenzenecarboximidamide
CID 76984718
2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N'-hydroxy-4-methylbenzenecarboximidamide
CID 76938898
4-chloro-2-(4-ethylazepan-1-yl)-N'-hydroxybenzenecarboximidamide
CID 77024630
4-chloro-N'-hydroxy-2-(3,3,4-trimethylpiperazin-1-yl)benzenecarboximidamide
CID 77000793
N-[[5-chloro-2-(3,5-diethylpyrazol-1-yl)phenyl]methyl]cyclopropanamine
CID 114854922

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(3,5-diethylpyrazol-1-yl)-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-chloro-2-(3,5-diethylpyrazol-1-yl)-N'-hydroxybenzenecarboximidamide (CID 82694324) is 4-chloro-2-(3,5-diethylpyrazol-1-yl)-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-chloro-2-(3,5-diethylpyrazol-1-yl)-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-chloro-2-(3,5-diethylpyrazol-1-yl)-N'-hydroxybenzenecarboximidamide is CCc1cc(CC)n(-c2cc(Cl)ccc2/C(N)=N/O)n1.
What is the InChIKey of 4-chloro-2-(3,5-diethylpyrazol-1-yl)-N'-hydroxybenzenecarboximidamide?
The InChIKey is VCOLXOQKDDYZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O/c1-3-10-8-11(4-2)19(17-10)13-7-9(15)5-6-12(13)14(16)18-20/h5-8,20H,3-4H2,1-2H3,(H2,16,18).
What are the key properties of 4-chloro-2-(3,5-diethylpyrazol-1-yl)-N'-hydroxybenzenecarboximidamide?
4-chloro-2-(3,5-diethylpyrazol-1-yl)-N'-hydroxybenzenecarboximidamide has a molecular weight of 292.77 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(3,5-diethylpyrazol-1-yl)-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 82694324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).