N'-hydroxy-3-(pyrazol-1-ylmethyl)benzenecarboximidamide

C11H12N4O — CID 24695013

IUPACN'-hydroxy-3-(pyrazol-1-ylmethyl)benzenecarboximidamide
SMILESN/C(=N\O)c1cccc(Cn2cccn2)c1
InChIInChI=1S/C11H12N4O/c12-11(14-16)10-4-1-3-9(7-10)8-15-6-2-5-13-15/h1-7,16H,8H2,(H2,12,14)
InChIKeyVVSCNEHOEGIUIU-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.03
Rot. Bonds3

About N'-hydroxy-3-(pyrazol-1-ylmethyl)benzenecarboximidamide

N'-hydroxy-3-(pyrazol-1-ylmethyl)benzenecarboximidamide (PubChem CID 24695013) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is N'-hydroxy-3-(pyrazol-1-ylmethyl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(pyrazol-1-ylmethyl)benzenecarboximidamide
PubChem CID24695013
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC NameN'-hydroxy-3-(pyrazol-1-ylmethyl)benzenecarboximidamide
SMILESN/C(=N\O)c1cccc(Cn2cccn2)c1
InChIInChI=1S/C11H12N4O/c12-11(14-16)10-4-1-3-9(7-10)8-15-6-2-5-13-15/h1-7,16H,8H2,(H2,12,14)
InChIKeyVVSCNEHOEGIUIU-UHFFFAOYSA-N
XLogP1.03
TPSA76.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.03
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

N'-hydroxy-4-(pyrazol-1-ylmethyl)benzenecarboximidamide
CID 24708552
N'-hydroxy-3-[(3-methylpyrazol-1-yl)methyl]benzenecarboximidamide
CID 77037603
N'-hydroxy-3-[(2-methylimidazol-1-yl)methyl]benzenecarboximidamide
CID 24708897
3-(azepan-1-ylmethyl)-N'-hydroxybenzenecarboximidamide
CID 24695733
3-(pyrazol-1-ylmethyl)phenol
CID 24745197
N'-hydroxy-3-(morpholin-4-ylmethyl)benzenecarboximidamide
CID 24694925
3-[(4,4-diethylpiperidin-1-yl)methyl]-N'-hydroxybenzenecarboximidamide
CID 76986732
3-[(3,5-dimethylpyrazol-1-yl)methyl]-N'-hydroxybenzenecarboximidamide
CID 57368832
[(Z)-[amino-[4-(2-amino-2-oxoethoxy)phenyl]methylidene]amino] 3-(pyrazol-1-ylmethyl)benzoate
CID 19298430
3-[3-(pyrazol-1-ylmethyl)phenyl]benzoic acid
CID 142326100
3-[[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide
CID 81464000
(2R)-2-[[3-(pyrazol-1-ylmethyl)benzoyl]amino]pentanediamide
CID 70712301

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-(pyrazol-1-ylmethyl)benzenecarboximidamide?
The IUPAC name of N'-hydroxy-3-(pyrazol-1-ylmethyl)benzenecarboximidamide (CID 24695013) is N'-hydroxy-3-(pyrazol-1-ylmethyl)benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-3-(pyrazol-1-ylmethyl)benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-3-(pyrazol-1-ylmethyl)benzenecarboximidamide is N/C(=N\O)c1cccc(Cn2cccn2)c1.
What is the InChIKey of N'-hydroxy-3-(pyrazol-1-ylmethyl)benzenecarboximidamide?
The InChIKey is VVSCNEHOEGIUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c12-11(14-16)10-4-1-3-9(7-10)8-15-6-2-5-13-15/h1-7,16H,8H2,(H2,12,14).
What are the key properties of N'-hydroxy-3-(pyrazol-1-ylmethyl)benzenecarboximidamide?
N'-hydroxy-3-(pyrazol-1-ylmethyl)benzenecarboximidamide has a molecular weight of 216.24 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(pyrazol-1-ylmethyl)benzenecarboximidamide is sourced from PubChem (CID 24695013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).