N'-hydroxy-5-[3-(hydroxymethyl)morpholin-4-yl]-1,3-dimethylpyrazole-4-carboximidamide

C11H19N5O3 — CID 104877402

IUPACN'-hydroxy-5-[3-(hydroxymethyl)morpholin-4-yl]-1,3-dimethylpyrazole-4-carboximidamide
SMILESCc1nn(C)c(N2CCOCC2CO)c1C(N)=NO
InChIInChI=1S/C11H19N5O3/c1-7-9(10(12)14-18)11(15(2)13-7)16-3-4-19-6-8(16)5-17/h8,17-18H,3-6H2,1-2H3,(H2,12,14)
InChIKeyOMDMSZPUDGRTMZ-UHFFFAOYSA-N
MW269.31 g/mol
LogP-0.98
Rot. Bonds3

About N'-hydroxy-5-[3-(hydroxymethyl)morpholin-4-yl]-1,3-dimethylpyrazole-4-carboximidamide

N'-hydroxy-5-[3-(hydroxymethyl)morpholin-4-yl]-1,3-dimethylpyrazole-4-carboximidamide (PubChem CID 104877402) has the molecular formula C11H19N5O3 and a molecular weight of 269.31 g/mol. Its IUPAC name is N'-hydroxy-5-[3-(hydroxymethyl)morpholin-4-yl]-1,3-dimethylpyrazole-4-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-5-[3-(hydroxymethyl)morpholin-4-yl]-1,3-dimethylpyrazole-4-carboximidamide
PubChem CID104877402
Molecular FormulaC11H19N5O3
Molecular Weight269.31 g/mol
Exact Mass269.15
IUPAC NameN'-hydroxy-5-[3-(hydroxymethyl)morpholin-4-yl]-1,3-dimethylpyrazole-4-carboximidamide
SMILESCc1nn(C)c(N2CCOCC2CO)c1C(N)=NO
InChIInChI=1S/C11H19N5O3/c1-7-9(10(12)14-18)11(15(2)13-7)16-3-4-19-6-8(16)5-17/h8,17-18H,3-6H2,1-2H3,(H2,12,14)
InChIKeyOMDMSZPUDGRTMZ-UHFFFAOYSA-N
XLogP-0.98
TPSA109.13 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 5-0.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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-(3-ethyl-4-methylpiperazin-1-yl)-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide
CID 76952372
N'-hydroxy-3-[3-(hydroxymethyl)morpholin-4-yl]pyridine-4-carboximidamide
CID 136952016
5-(4-ethylpiperazin-1-yl)-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide
CID 76952238
N'-hydroxy-1,3-dimethyl-5-thiomorpholin-4-ylpyrazole-4-carboximidamide
CID 76952268
3-chloro-N'-hydroxy-2-[3-(hydroxymethyl)morpholin-4-yl]pyridine-4-carboximidamide
CID 136739559
N'-hydroxy-5,6-dimethyl-3-(3-methylmorpholin-4-yl)pyridazine-4-carboximidamide
CID 136924818
5-(3,4-dimethoxypyrrolidin-1-yl)-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide
CID 103534006
N'-hydroxy-1,3-dimethyl-5-(4-methyl-1,4-diazepan-1-yl)pyrazole-4-carboximidamide
CID 76952267
5-(3-ethylpiperidin-1-yl)-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide
CID 55242512
5-[2-(2-hydroxyethyl)piperidin-1-yl]-1,3-dimethylpyrazole-4-carbothioamide
CID 55242689
[1-[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]azepan-2-yl]methanol
CID 116634087
5-(4-ethyl-4-methylpiperidin-1-yl)-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide
CID 76952250

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-[3-(hydroxymethyl)morpholin-4-yl]-1,3-dimethylpyrazole-4-carboximidamide?
The IUPAC name of N'-hydroxy-5-[3-(hydroxymethyl)morpholin-4-yl]-1,3-dimethylpyrazole-4-carboximidamide (CID 104877402) is N'-hydroxy-5-[3-(hydroxymethyl)morpholin-4-yl]-1,3-dimethylpyrazole-4-carboximidamide.
What is the SMILES notation for N'-hydroxy-5-[3-(hydroxymethyl)morpholin-4-yl]-1,3-dimethylpyrazole-4-carboximidamide?
The canonical SMILES for N'-hydroxy-5-[3-(hydroxymethyl)morpholin-4-yl]-1,3-dimethylpyrazole-4-carboximidamide is Cc1nn(C)c(N2CCOCC2CO)c1C(N)=NO.
What is the InChIKey of N'-hydroxy-5-[3-(hydroxymethyl)morpholin-4-yl]-1,3-dimethylpyrazole-4-carboximidamide?
The InChIKey is OMDMSZPUDGRTMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O3/c1-7-9(10(12)14-18)11(15(2)13-7)16-3-4-19-6-8(16)5-17/h8,17-18H,3-6H2,1-2H3,(H2,12,14).
What are the key properties of N'-hydroxy-5-[3-(hydroxymethyl)morpholin-4-yl]-1,3-dimethylpyrazole-4-carboximidamide?
N'-hydroxy-5-[3-(hydroxymethyl)morpholin-4-yl]-1,3-dimethylpyrazole-4-carboximidamide has a molecular weight of 269.31 g/mol, XLogP of -0.98, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-[3-(hydroxymethyl)morpholin-4-yl]-1,3-dimethylpyrazole-4-carboximidamide is sourced from PubChem (CID 104877402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).