N'-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide

C13H24IN5O — CID 110061873

IUPACN'-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide
SMILESCOc1c(C/N=C(\N)N2CCCCC2)c(C)nn1C.I
InChIInChI=1S/C13H23N5O.HI/c1-10-11(12(19-3)17(2)16-10)9-15-13(14)18-7-5-4-6-8-18;/h4-9H2,1-3H3,(H2,14,15);1H
InChIKeyOAGFBDPYWHJJBC-UHFFFAOYSA-N
MW393.27 g/mol
LogP1.66
Rot. Bonds3

About N'-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide

N'-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide (PubChem CID 110061873) has the molecular formula C13H24IN5O and a molecular weight of 393.27 g/mol. Its IUPAC name is N'-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide
PubChem CID110061873
Molecular FormulaC13H24IN5O
Molecular Weight393.27 g/mol
Exact Mass393.10
IUPAC NameN'-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide
SMILESCOc1c(C/N=C(\N)N2CCCCC2)c(C)nn1C.I
InChIInChI=1S/C13H23N5O.HI/c1-10-11(12(19-3)17(2)16-10)9-15-13(14)18-7-5-4-6-8-18;/h4-9H2,1-3H3,(H2,14,15);1H
InChIKeyOAGFBDPYWHJJBC-UHFFFAOYSA-N
XLogP1.66
TPSA68.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.27
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1,3-diethyl-2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]guanidine;hydroiodide
CID 91648306
N'-[(2,5-dimethylpyrazol-3-yl)methyl]azepane-1-carboximidamide;hydroiodide
CID 120913439
N'-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboximidamide
CID 111065308
2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-octylguanidine
CID 110061818
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-piperidin-1-ylethanamine
CID 115600691
2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-[4-(trifluoromethoxy)phenyl]guanidine;hydroiodide
CID 110061835
N'-[(4-methylphenyl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111026011
N'-[(2,6-dimethylpyrimidin-4-yl)methyl]azepane-1-carboximidamide;hydroiodide
CID 120913679
N'-[[2-(methoxymethyl)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 111053986
N'-[(5-methylthiophen-2-yl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111046068
1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-amine
CID 113463461
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethanamine
CID 51104933

Frequently Asked Questions

What is the IUPAC name of N'-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide (CID 110061873) is N'-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide is COc1c(C/N=C(\N)N2CCCCC2)c(C)nn1C.I.
What is the InChIKey of N'-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide?
The InChIKey is OAGFBDPYWHJJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O.HI/c1-10-11(12(19-3)17(2)16-10)9-15-13(14)18-7-5-4-6-8-18;/h4-9H2,1-3H3,(H2,14,15);1H.
What are the key properties of N'-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide?
N'-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide has a molecular weight of 393.27 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 110061873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).