N'-hydroxy-2-methoxy-5-[[(1-methylpyrazol-4-yl)methylamino]methyl]benzenecarboximidamide

C14H19N5O2 — CID 77066173

IUPACN'-hydroxy-2-methoxy-5-[[(1-methylpyrazol-4-yl)methylamino]methyl]benzenecarboximidamide
SMILESCOc1ccc(CNCc2cnn(C)c2)cc1C(N)=NO
InChIInChI=1S/C14H19N5O2/c1-19-9-11(8-17-19)7-16-6-10-3-4-13(21-2)12(5-10)14(15)18-20/h3-5,8-9,16,20H,6-7H2,1-2H3,(H2,15,18)
InChIKeyFRYSSYHKPWKRLF-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.81
Rot. Bonds6

About N'-hydroxy-2-methoxy-5-[[(1-methylpyrazol-4-yl)methylamino]methyl]benzenecarboximidamide

N'-hydroxy-2-methoxy-5-[[(1-methylpyrazol-4-yl)methylamino]methyl]benzenecarboximidamide (PubChem CID 77066173) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is N'-hydroxy-2-methoxy-5-[[(1-methylpyrazol-4-yl)methylamino]methyl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-methoxy-5-[[(1-methylpyrazol-4-yl)methylamino]methyl]benzenecarboximidamide
PubChem CID77066173
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC NameN'-hydroxy-2-methoxy-5-[[(1-methylpyrazol-4-yl)methylamino]methyl]benzenecarboximidamide
SMILESCOc1ccc(CNCc2cnn(C)c2)cc1C(N)=NO
InChIInChI=1S/C14H19N5O2/c1-19-9-11(8-17-19)7-16-6-10-3-4-13(21-2)12(5-10)14(15)18-20/h3-5,8-9,16,20H,6-7H2,1-2H3,(H2,15,18)
InChIKeyFRYSSYHKPWKRLF-UHFFFAOYSA-N
XLogP0.81
TPSA97.69 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

5-[(cyclopropylmethylamino)methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide
CID 77065912
N'-hydroxy-2-methoxy-5-(propylaminomethyl)benzenecarboximidamide
CID 77065913
N'-hydroxy-2-methoxy-5-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]benzenecarboximidamide
CID 106372791
N'-hydroxy-2-methoxy-5-[(1,2-oxazol-5-ylmethylamino)methyl]benzenecarboximidamide
CID 106418431
N'-hydroxy-5-[(3-hydroxypropylamino)methyl]-2-methoxybenzenecarboximidamide
CID 77065859
N'-hydroxy-2-methoxy-5-[(2-propan-2-yloxyethylamino)methyl]benzenecarboximidamide
CID 104762048
3-[[3-(N'-hydroxycarbamimidoyl)-4-methoxyphenyl]methylamino]propanamide
CID 77065797
N'-hydroxy-2-methoxy-5-[(2-methylsulfanylethylamino)methyl]benzenecarboximidamide
CID 65340181
N'-hydroxy-5-[[2-(2-hydroxyethoxy)ethylamino]methyl]-2-methoxybenzenecarboximidamide
CID 77065968
5-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide
CID 106177194
2-methoxy-4-[[(1-methylpyrazol-4-yl)methylamino]methyl]benzonitrile
CID 106787213
3-[[3-(N'-hydroxycarbamimidoyl)-4-methoxyphenyl]methylamino]-N-methylpropanamide
CID 77066079

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-methoxy-5-[[(1-methylpyrazol-4-yl)methylamino]methyl]benzenecarboximidamide?
The IUPAC name of N'-hydroxy-2-methoxy-5-[[(1-methylpyrazol-4-yl)methylamino]methyl]benzenecarboximidamide (CID 77066173) is N'-hydroxy-2-methoxy-5-[[(1-methylpyrazol-4-yl)methylamino]methyl]benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-2-methoxy-5-[[(1-methylpyrazol-4-yl)methylamino]methyl]benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-2-methoxy-5-[[(1-methylpyrazol-4-yl)methylamino]methyl]benzenecarboximidamide is COc1ccc(CNCc2cnn(C)c2)cc1C(N)=NO.
What is the InChIKey of N'-hydroxy-2-methoxy-5-[[(1-methylpyrazol-4-yl)methylamino]methyl]benzenecarboximidamide?
The InChIKey is FRYSSYHKPWKRLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-19-9-11(8-17-19)7-16-6-10-3-4-13(21-2)12(5-10)14(15)18-20/h3-5,8-9,16,20H,6-7H2,1-2H3,(H2,15,18).
What are the key properties of N'-hydroxy-2-methoxy-5-[[(1-methylpyrazol-4-yl)methylamino]methyl]benzenecarboximidamide?
N'-hydroxy-2-methoxy-5-[[(1-methylpyrazol-4-yl)methylamino]methyl]benzenecarboximidamide has a molecular weight of 289.34 g/mol, XLogP of 0.81, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-methoxy-5-[[(1-methylpyrazol-4-yl)methylamino]methyl]benzenecarboximidamide is sourced from PubChem (CID 77066173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).