N'-hydroxy-1,3-dimethyl-5-[(1-methylpiperidin-2-yl)methoxy]pyrazole-4-carboximidamide

C13H23N5O2 — CID 77067948

IUPACN'-hydroxy-1,3-dimethyl-5-[(1-methylpiperidin-2-yl)methoxy]pyrazole-4-carboximidamide
SMILESCc1nn(C)c(OCC2CCCCN2C)c1C(N)=NO
InChIInChI=1S/C13H23N5O2/c1-9-11(12(14)16-19)13(18(3)15-9)20-8-10-6-4-5-7-17(10)2/h10,19H,4-8H2,1-3H3,(H2,14,16)
InChIKeyWXRUMHLIQWHBEY-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.69
Rot. Bonds4

About N'-hydroxy-1,3-dimethyl-5-[(1-methylpiperidin-2-yl)methoxy]pyrazole-4-carboximidamide

N'-hydroxy-1,3-dimethyl-5-[(1-methylpiperidin-2-yl)methoxy]pyrazole-4-carboximidamide (PubChem CID 77067948) has the molecular formula C13H23N5O2 and a molecular weight of 281.36 g/mol. Its IUPAC name is N'-hydroxy-1,3-dimethyl-5-[(1-methylpiperidin-2-yl)methoxy]pyrazole-4-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1,3-dimethyl-5-[(1-methylpiperidin-2-yl)methoxy]pyrazole-4-carboximidamide
PubChem CID77067948
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC NameN'-hydroxy-1,3-dimethyl-5-[(1-methylpiperidin-2-yl)methoxy]pyrazole-4-carboximidamide
SMILESCc1nn(C)c(OCC2CCCCN2C)c1C(N)=NO
InChIInChI=1S/C13H23N5O2/c1-9-11(12(14)16-19)13(18(3)15-9)20-8-10-6-4-5-7-17(10)2/h10,19H,4-8H2,1-3H3,(H2,14,16)
InChIKeyWXRUMHLIQWHBEY-UHFFFAOYSA-N
XLogP0.69
TPSA88.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.69
H-Bond Donors ≤ 52
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

1,3-dimethyl-5-[(1-methylpiperidin-2-yl)methoxy]pyrazole-4-carboxylic acid
CID 65467124
5-(cyclopropylmethoxy)-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide
CID 76951956
N'-hydroxy-1,3-dimethyl-5-(2-piperidin-1-ylethoxy)pyrazole-4-carboximidamide
CID 76951959
1,3-dimethyl-5-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyrazole-4-carboxylic acid
CID 55243865
3-chloro-N'-hydroxy-2-[(1-methylpiperidin-2-yl)methoxy]pyridine-4-carboximidamide
CID 136739755
5-(3-ethyl-4-methylpiperazin-1-yl)-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide
CID 76952372
2,6-dimethyl-4-[(1-methylpiperidin-2-yl)methoxy]pyridine-3-carbothioamide
CID 81054789
5-[2-[di(propan-2-yl)amino]ethoxy]-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide
CID 115505568
N'-hydroxy-1,3-dimethyl-5-[methyl-(1-methylpiperidin-4-yl)amino]pyrazole-4-carboximidamide
CID 76952151
5-(4-ethylpiperazin-1-yl)-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide
CID 76952238
5-(3-ethylpiperidin-1-yl)-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide
CID 55242512
N'-hydroxy-1,3-dimethyl-5-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyrazole-4-carboximidamide
CID 76952340

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-1,3-dimethyl-5-[(1-methylpiperidin-2-yl)methoxy]pyrazole-4-carboximidamide?
The IUPAC name of N'-hydroxy-1,3-dimethyl-5-[(1-methylpiperidin-2-yl)methoxy]pyrazole-4-carboximidamide (CID 77067948) is N'-hydroxy-1,3-dimethyl-5-[(1-methylpiperidin-2-yl)methoxy]pyrazole-4-carboximidamide.
What is the SMILES notation for N'-hydroxy-1,3-dimethyl-5-[(1-methylpiperidin-2-yl)methoxy]pyrazole-4-carboximidamide?
The canonical SMILES for N'-hydroxy-1,3-dimethyl-5-[(1-methylpiperidin-2-yl)methoxy]pyrazole-4-carboximidamide is Cc1nn(C)c(OCC2CCCCN2C)c1C(N)=NO.
What is the InChIKey of N'-hydroxy-1,3-dimethyl-5-[(1-methylpiperidin-2-yl)methoxy]pyrazole-4-carboximidamide?
The InChIKey is WXRUMHLIQWHBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2/c1-9-11(12(14)16-19)13(18(3)15-9)20-8-10-6-4-5-7-17(10)2/h10,19H,4-8H2,1-3H3,(H2,14,16).
What are the key properties of N'-hydroxy-1,3-dimethyl-5-[(1-methylpiperidin-2-yl)methoxy]pyrazole-4-carboximidamide?
N'-hydroxy-1,3-dimethyl-5-[(1-methylpiperidin-2-yl)methoxy]pyrazole-4-carboximidamide has a molecular weight of 281.36 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1,3-dimethyl-5-[(1-methylpiperidin-2-yl)methoxy]pyrazole-4-carboximidamide is sourced from PubChem (CID 77067948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).