N'-hydroxy-3-[[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]methyl]benzenecarboximidamide

C15H21N5O — CID 103002972

IUPACN'-hydroxy-3-[[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]methyl]benzenecarboximidamide
SMILESCN(CCc1cnn(C)c1)Cc1cccc(/C(N)=N/O)c1
InChIInChI=1S/C15H21N5O/c1-19(7-6-13-9-17-20(2)11-13)10-12-4-3-5-14(8-12)15(16)18-21/h3-5,8-9,11,21H,6-7,10H2,1-2H3,(H2,16,18)
InChIKeyDNORSKHNRJYKDQ-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.19
Rot. Bonds6

About N'-hydroxy-3-[[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]methyl]benzenecarboximidamide

N'-hydroxy-3-[[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]methyl]benzenecarboximidamide (PubChem CID 103002972) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is N'-hydroxy-3-[[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]methyl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]methyl]benzenecarboximidamide
PubChem CID103002972
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC NameN'-hydroxy-3-[[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]methyl]benzenecarboximidamide
SMILESCN(CCc1cnn(C)c1)Cc1cccc(/C(N)=N/O)c1
InChIInChI=1S/C15H21N5O/c1-19(7-6-13-9-17-20(2)11-13)10-12-4-3-5-14(8-12)15(16)18-21/h3-5,8-9,11,21H,6-7,10H2,1-2H3,(H2,16,18)
InChIKeyDNORSKHNRJYKDQ-UHFFFAOYSA-N
XLogP1.19
TPSA79.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.19
H-Bond Donors ≤ 52
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

3-[(Z)-N'-hydroxycarbamimidoyl]-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide
CID 78982638
N'-hydroxy-3-[[2-methoxyethyl(methyl)amino]methyl]benzenecarboximidamide
CID 55135155
3-(N'-hydroxycarbamimidoyl)-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 76928206
3-[[(3-chlorophenyl)methyl-methylamino]methyl]-N'-hydroxybenzenecarboximidamide
CID 76903702
4-[[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]methyl]benzoic acid
CID 103004734
5-(N'-hydroxycarbamimidoyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2-carboxamide
CID 77005131
1-(3-fluorophenyl)-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propan-1-one
CID 62643371
N-(2,6-difluorophenyl)-3-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]benzamide
CID 50959414
N-benzyl-5-[[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]methyl]pyrimidin-2-amine
CID 77091082
1-(3-bromophenyl)-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propan-1-one
CID 62613793
N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-3-phenylpropan-1-amine
CID 77093539
3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-N'-hydroxybenzenecarboximidamide
CID 76910058

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]methyl]benzenecarboximidamide?
The IUPAC name of N'-hydroxy-3-[[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]methyl]benzenecarboximidamide (CID 103002972) is N'-hydroxy-3-[[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]methyl]benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-3-[[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]methyl]benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-3-[[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]methyl]benzenecarboximidamide is CN(CCc1cnn(C)c1)Cc1cccc(/C(N)=N/O)c1.
What is the InChIKey of N'-hydroxy-3-[[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]methyl]benzenecarboximidamide?
The InChIKey is DNORSKHNRJYKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-19(7-6-13-9-17-20(2)11-13)10-12-4-3-5-14(8-12)15(16)18-21/h3-5,8-9,11,21H,6-7,10H2,1-2H3,(H2,16,18).
What are the key properties of N'-hydroxy-3-[[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]methyl]benzenecarboximidamide?
N'-hydroxy-3-[[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]methyl]benzenecarboximidamide has a molecular weight of 287.37 g/mol, XLogP of 1.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]methyl]benzenecarboximidamide is sourced from PubChem (CID 103002972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).