3-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-N'-hydroxybenzenecarboximidamide

C14H19N5O — CID 106033800

IUPAC3-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-N'-hydroxybenzenecarboximidamide
SMILESCc1c(CNCc2cccc(/C(N)=N/O)c2)cnn1C
InChIInChI=1S/C14H19N5O/c1-10-13(9-17-19(10)2)8-16-7-11-4-3-5-12(6-11)14(15)18-20/h3-6,9,16,20H,7-8H2,1-2H3,(H2,15,18)
InChIKeyIUABKTAYXQNTDT-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.11
Rot. Bonds5

About 3-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-N'-hydroxybenzenecarboximidamide

3-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-N'-hydroxybenzenecarboximidamide (PubChem CID 106033800) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name3-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-N'-hydroxybenzenecarboximidamide
PubChem CID106033800
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name3-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-N'-hydroxybenzenecarboximidamide
SMILESCc1c(CNCc2cccc(/C(N)=N/O)c2)cnn1C
InChIInChI=1S/C14H19N5O/c1-10-13(9-17-19(10)2)8-16-7-11-4-3-5-12(6-11)14(15)18-20/h3-6,9,16,20H,7-8H2,1-2H3,(H2,15,18)
InChIKeyIUABKTAYXQNTDT-UHFFFAOYSA-N
XLogP1.11
TPSA88.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-[[(2-methylphenyl)methylamino]methyl]benzenecarboximidamide
CID 77028839
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(3-fluorophenyl)methanamine;hydrochloride
CID 126964694
1-(3-cyclopropylphenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine
CID 106037870
N'-hydroxy-3-[(2-methylprop-2-enylamino)methyl]benzenecarboximidamide
CID 114617394
N'-hydroxy-3-(propylaminomethyl)benzenecarboximidamide
CID 77028524
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 106041082
3-[(2,2-dimethylpropylamino)methyl]-N'-hydroxybenzenecarboximidamide
CID 77032714
N'-hydroxy-3-[[(2-hydroxy-2-methylpropyl)amino]methyl]benzenecarboximidamide
CID 77056345
3-[[(5-bromo-2-fluorophenyl)methylamino]methyl]-N'-hydroxybenzenecarboximidamide
CID 77032410
N-[[3-(N'-hydroxycarbamimidoyl)phenyl]methyl]-2-methylpyrazole-3-carboxamide
CID 76977810
4-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]benzoic acid
CID 19624595
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(4-fluoro-3-methylphenyl)methanamine
CID 113338388

Frequently Asked Questions

What is the IUPAC name of 3-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 3-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-N'-hydroxybenzenecarboximidamide (CID 106033800) is 3-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 3-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 3-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-N'-hydroxybenzenecarboximidamide is Cc1c(CNCc2cccc(/C(N)=N/O)c2)cnn1C.
What is the InChIKey of 3-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-N'-hydroxybenzenecarboximidamide?
The InChIKey is IUABKTAYXQNTDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-10-13(9-17-19(10)2)8-16-7-11-4-3-5-12(6-11)14(15)18-20/h3-6,9,16,20H,7-8H2,1-2H3,(H2,15,18).
What are the key properties of 3-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-N'-hydroxybenzenecarboximidamide?
3-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-N'-hydroxybenzenecarboximidamide has a molecular weight of 273.34 g/mol, XLogP of 1.11, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 106033800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).