N'-hydroxy-4-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]benzenecarboximidamide

C14H19N5O — CID 103007308

IUPACN'-hydroxy-4-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]benzenecarboximidamide
SMILESCn1nccc1CCNCc1ccc(/C(N)=N/O)cc1
InChIInChI=1S/C14H19N5O/c1-19-13(7-9-17-19)6-8-16-10-11-2-4-12(5-3-11)14(15)18-20/h2-5,7,9,16,20H,6,8,10H2,1H3,(H2,15,18)
InChIKeyUTWFZNIHVONTTM-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.85
Rot. Bonds6

About N'-hydroxy-4-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]benzenecarboximidamide

N'-hydroxy-4-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]benzenecarboximidamide (PubChem CID 103007308) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is N'-hydroxy-4-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]benzenecarboximidamide
PubChem CID103007308
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC NameN'-hydroxy-4-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]benzenecarboximidamide
SMILESCn1nccc1CCNCc1ccc(/C(N)=N/O)cc1
InChIInChI=1S/C14H19N5O/c1-19-13(7-9-17-19)6-8-16-10-11-2-4-12(5-3-11)14(15)18-20/h2-5,7,9,16,20H,6,8,10H2,1H3,(H2,15,18)
InChIKeyUTWFZNIHVONTTM-UHFFFAOYSA-N
XLogP0.85
TPSA88.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[(4-methoxyphenyl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 104694398
N'-hydroxy-4-[(3-methylbutylamino)methyl]benzenecarboximidamide
CID 77025588
N-[(3-methylphenyl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 104694342
N-[(3-bromophenyl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 104694451
4-[[3-(dimethylamino)propylamino]methyl]-N'-hydroxybenzenecarboximidamide
CID 77029990
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 104694434
N'-hydroxy-4-[[(4-methyl-1,2,4-triazol-3-yl)methylamino]methyl]benzenecarboximidamide
CID 77028438
N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-(2-methylpyrazol-3-yl)ethanamine
CID 104694435
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 106302950
N-[(3-chloro-4-fluorophenyl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 113442257
N-[(4,5-dibromothiophen-2-yl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 103005329
3-amino-3-hydroxyimino-2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propanamide
CID 103010114

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]benzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]benzenecarboximidamide (CID 103007308) is N'-hydroxy-4-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]benzenecarboximidamide is Cn1nccc1CCNCc1ccc(/C(N)=N/O)cc1.
What is the InChIKey of N'-hydroxy-4-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]benzenecarboximidamide?
The InChIKey is UTWFZNIHVONTTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-19-13(7-9-17-19)6-8-16-10-11-2-4-12(5-3-11)14(15)18-20/h2-5,7,9,16,20H,6,8,10H2,1H3,(H2,15,18).
What are the key properties of N'-hydroxy-4-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]benzenecarboximidamide?
N'-hydroxy-4-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]benzenecarboximidamide has a molecular weight of 273.34 g/mol, XLogP of 0.85, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]benzenecarboximidamide is sourced from PubChem (CID 103007308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).