N'-hydroxy-1-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboximidamide

C11H19N5O — CID 77038911

IUPACN'-hydroxy-1-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboximidamide
SMILESCn1cc(CN2CCC(C(N)=NO)CC2)cn1
InChIInChI=1S/C11H19N5O/c1-15-7-9(6-13-15)8-16-4-2-10(3-5-16)11(12)14-17/h6-7,10,17H,2-5,8H2,1H3,(H2,12,14)
InChIKeyIUZPABAIULPUOI-UHFFFAOYSA-N
MW237.31 g/mol
LogP0.38
Rot. Bonds3

About N'-hydroxy-1-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboximidamide

N'-hydroxy-1-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboximidamide (PubChem CID 77038911) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is N'-hydroxy-1-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboximidamide
PubChem CID77038911
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC NameN'-hydroxy-1-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboximidamide
SMILESCn1cc(CN2CCC(C(N)=NO)CC2)cn1
InChIInChI=1S/C11H19N5O/c1-15-7-9(6-13-15)8-16-4-2-10(3-5-16)11(12)14-17/h6-7,10,17H,2-5,8H2,1H3,(H2,12,14)
InChIKeyIUZPABAIULPUOI-UHFFFAOYSA-N
XLogP0.38
TPSA79.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 50.38
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

4-bromo-1-[(1-methylpyrazol-4-yl)methyl]piperidine
CID 80680049
1-[2-(1-methylpyrazol-4-yl)ethyl]piperidine-4-carbothioamide
CID 103002659
[4-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methanamine
CID 114959813
1-[(1-methylpyrazol-4-yl)methyl]azetidin-3-ol
CID 63282120
2-[4-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]ethanamine
CID 62127922
[1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]methanol
CID 60685295
1-[(1-ethylpyrazol-4-yl)methyl]-N'-hydroxypiperidine-2-carboximidamide
CID 77036051
1-(4-methylpiperidin-1-yl)-2-[4-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]ethane-1,2-dione
CID 99785397
1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrrole-2-carboxylic acid
CID 62716607
(3S)-3-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine
CID 103885638
1-[(1-methylpyrazol-4-yl)methyl]-4-(1H-pyrazol-5-yl)piperidine
CID 95817555
N'-hydroxy-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboximidamide
CID 77038991

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-1-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboximidamide?
The IUPAC name of N'-hydroxy-1-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboximidamide (CID 77038911) is N'-hydroxy-1-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboximidamide?
The canonical SMILES for N'-hydroxy-1-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboximidamide is Cn1cc(CN2CCC(C(N)=NO)CC2)cn1.
What is the InChIKey of N'-hydroxy-1-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboximidamide?
The InChIKey is IUZPABAIULPUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-15-7-9(6-13-15)8-16-4-2-10(3-5-16)11(12)14-17/h6-7,10,17H,2-5,8H2,1H3,(H2,12,14).
What are the key properties of N'-hydroxy-1-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboximidamide?
N'-hydroxy-1-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboximidamide has a molecular weight of 237.31 g/mol, XLogP of 0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboximidamide is sourced from PubChem (CID 77038911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).