2-ethenyl-1-methylidene-3-(1-piperidin-4-ylpyrazol-4-yl)guanidine

C12H18N6 — CID 166160032

IUPAC2-ethenyl-1-methylidene-3-(1-piperidin-4-ylpyrazol-4-yl)guanidine
SMILESC=C/N=C(\N=C)Nc1cnn(C2CCNCC2)c1
InChIInChI=1S/C12H18N6/c1-3-15-12(13-2)17-10-8-16-18(9-10)11-4-6-14-7-5-11/h3,8-9,11,14H,1-2,4-7H2,(H,15,17)
InChIKeyPWODQXCFXPUFMX-UHFFFAOYSA-N
MW246.32 g/mol
LogP1.42
Rot. Bonds3

About 2-ethenyl-1-methylidene-3-(1-piperidin-4-ylpyrazol-4-yl)guanidine

2-ethenyl-1-methylidene-3-(1-piperidin-4-ylpyrazol-4-yl)guanidine (PubChem CID 166160032) has the molecular formula C12H18N6 and a molecular weight of 246.32 g/mol. Its IUPAC name is 2-ethenyl-1-methylidene-3-(1-piperidin-4-ylpyrazol-4-yl)guanidine.

Molecular Properties

Compound Name2-ethenyl-1-methylidene-3-(1-piperidin-4-ylpyrazol-4-yl)guanidine
PubChem CID166160032
Molecular FormulaC12H18N6
Molecular Weight246.32 g/mol
Exact Mass246.16
IUPAC Name2-ethenyl-1-methylidene-3-(1-piperidin-4-ylpyrazol-4-yl)guanidine
SMILESC=C/N=C(\N=C)Nc1cnn(C2CCNCC2)c1
InChIInChI=1S/C12H18N6/c1-3-15-12(13-2)17-10-8-16-18(9-10)11-4-6-14-7-5-11/h3,8-9,11,14H,1-2,4-7H2,(H,15,17)
InChIKeyPWODQXCFXPUFMX-UHFFFAOYSA-N
XLogP1.42
TPSA66.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.32
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-1-methylidene-3-(1-piperidin-4-ylpyrazol-4-yl)guanidine
CID 154930924
2-methyl-1-methylidene-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]guanidine
CID 154930981
2-[4-(2-methoxyphenyl)-2,5-dimethylthiophen-3-yl]-1-methylidene-3-(1-piperidin-4-ylpyrazol-4-yl)guanidine
CID 126495720
N-cycloheptyl-1-piperidin-4-ylpyrazol-4-amine
CID 82932629
N-(1-piperidin-4-ylpyrazol-4-yl)but-2-ynamide
CID 107990454
3-bromo-N-(1-piperidin-4-ylpyrazol-4-yl)pyridine-2-carboxamide
CID 107520067
N-(1-piperidin-4-ylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide
CID 166243214
2-(1-methylpyrazol-4-yl)-2-oxo-N-(1-piperidin-4-ylpyrazol-4-yl)acetamide
CID 166211770
1-cyclopropyl-N-(1-piperidin-4-ylpyrazol-4-yl)methanesulfonamide
CID 64989081
4-[4-(azetidin-1-yl)pyrazol-1-yl]piperidine
CID 170777793
4-methyl-N-(1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-amine
CID 134421040
N-(1-piperidin-4-ylpyrazol-4-yl)-1-benzothiophene-5-carboxamide
CID 166211763

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-1-methylidene-3-(1-piperidin-4-ylpyrazol-4-yl)guanidine?
The IUPAC name of 2-ethenyl-1-methylidene-3-(1-piperidin-4-ylpyrazol-4-yl)guanidine (CID 166160032) is 2-ethenyl-1-methylidene-3-(1-piperidin-4-ylpyrazol-4-yl)guanidine.
What is the SMILES notation for 2-ethenyl-1-methylidene-3-(1-piperidin-4-ylpyrazol-4-yl)guanidine?
The canonical SMILES for 2-ethenyl-1-methylidene-3-(1-piperidin-4-ylpyrazol-4-yl)guanidine is C=C/N=C(\N=C)Nc1cnn(C2CCNCC2)c1.
What is the InChIKey of 2-ethenyl-1-methylidene-3-(1-piperidin-4-ylpyrazol-4-yl)guanidine?
The InChIKey is PWODQXCFXPUFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6/c1-3-15-12(13-2)17-10-8-16-18(9-10)11-4-6-14-7-5-11/h3,8-9,11,14H,1-2,4-7H2,(H,15,17).
What are the key properties of 2-ethenyl-1-methylidene-3-(1-piperidin-4-ylpyrazol-4-yl)guanidine?
2-ethenyl-1-methylidene-3-(1-piperidin-4-ylpyrazol-4-yl)guanidine has a molecular weight of 246.32 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-1-methylidene-3-(1-piperidin-4-ylpyrazol-4-yl)guanidine is sourced from PubChem (CID 166160032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).