N'-hydroxy-4-(pyrazol-1-ylmethyl)benzenecarboximidamide

C11H12N4O — CID 24708552

IUPACN'-hydroxy-4-(pyrazol-1-ylmethyl)benzenecarboximidamide
SMILESN/C(=N\O)c1ccc(Cn2cccn2)cc1
InChIInChI=1S/C11H12N4O/c12-11(14-16)10-4-2-9(3-5-10)8-15-7-1-6-13-15/h1-7,16H,8H2,(H2,12,14)
InChIKeyHOJCQLNZQFUNAE-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.03
Rot. Bonds3

About N'-hydroxy-4-(pyrazol-1-ylmethyl)benzenecarboximidamide

N'-hydroxy-4-(pyrazol-1-ylmethyl)benzenecarboximidamide (PubChem CID 24708552) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is N'-hydroxy-4-(pyrazol-1-ylmethyl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-(pyrazol-1-ylmethyl)benzenecarboximidamide
PubChem CID24708552
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC NameN'-hydroxy-4-(pyrazol-1-ylmethyl)benzenecarboximidamide
SMILESN/C(=N\O)c1ccc(Cn2cccn2)cc1
InChIInChI=1S/C11H12N4O/c12-11(14-16)10-4-2-9(3-5-10)8-15-7-1-6-13-15/h1-7,16H,8H2,(H2,12,14)
InChIKeyHOJCQLNZQFUNAE-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-3-(pyrazol-1-ylmethyl)benzenecarboximidamide
CID 24695013
4-[(4-chloropyrazol-1-yl)methyl]-N'-hydroxybenzenecarboximidamide
CID 54909727
4-[(4-bromopyrazol-1-yl)methyl]-N'-hydroxybenzenecarboximidamide
CID 54909417
[4-(pyrazol-1-ylmethyl)phenyl]methanol
CID 16640562
N'-hydroxy-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]benzenecarboximidamide
CID 76913324
4-(azepan-1-ylmethyl)-N'-hydroxybenzenecarboximidamide
CID 24701931
ethyl 1-[[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]methyl]pyrazole-4-carboxylate
CID 135353252
[4-(pyrazol-1-ylmethyl)phenyl]boronic acid
CID 3698707
N'-hydroxy-1-(2-pyrazol-1-ylethyl)indole-5-carboximidamide
CID 107920822
N'-hydroxy-4-pyrrol-1-ylbenzenecarboximidamide
CID 4018661
ethyl 3-bromo-1-[[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]methyl]pyrazole-4-carboxylate
CID 155754646
[5-[6-[(E)-N'-hydroxycarbamimidoyl]-1H-benzimidazol-2-yl]-1-methyl-3-[4-(pyrazol-1-ylmethyl)phenyl]pyrazol-4-yl] N,N-diethylcarbamate
CID 135988709

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-(pyrazol-1-ylmethyl)benzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-(pyrazol-1-ylmethyl)benzenecarboximidamide (CID 24708552) is N'-hydroxy-4-(pyrazol-1-ylmethyl)benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-(pyrazol-1-ylmethyl)benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-(pyrazol-1-ylmethyl)benzenecarboximidamide is N/C(=N\O)c1ccc(Cn2cccn2)cc1.
What is the InChIKey of N'-hydroxy-4-(pyrazol-1-ylmethyl)benzenecarboximidamide?
The InChIKey is HOJCQLNZQFUNAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c12-11(14-16)10-4-2-9(3-5-10)8-15-7-1-6-13-15/h1-7,16H,8H2,(H2,12,14).
What are the key properties of N'-hydroxy-4-(pyrazol-1-ylmethyl)benzenecarboximidamide?
N'-hydroxy-4-(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-4-(pyrazol-1-ylmethyl)benzenecarboximidamide is sourced from PubChem (CID 24708552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).