3-imino-N'-(5-methyl-1H-pyrazol-3-yl)-3-piperidin-1-ylpropanimidamide

C12H20N6 — CID 123461673

IUPAC3-imino-N'-(5-methyl-1H-pyrazol-3-yl)-3-piperidin-1-ylpropanimidamide
SMILES[H]/N=C(/C/C(N)=N/c1cc(C)[nH]n1)N1CCCCC1
InChIInChI=1S/C12H20N6/c1-9-7-12(17-16-9)15-10(13)8-11(14)18-5-3-2-4-6-18/h7,14H,2-6,8H2,1H3,(H3,13,15,16,17)/b14-11-
InChIKeySAPWSZGTSPHNLS-KAMYIIQDSA-N
MW248.33 g/mol
LogP1.56
Rot. Bonds3

About 3-imino-N'-(5-methyl-1H-pyrazol-3-yl)-3-piperidin-1-ylpropanimidamide

3-imino-N'-(5-methyl-1H-pyrazol-3-yl)-3-piperidin-1-ylpropanimidamide (PubChem CID 123461673) has the molecular formula C12H20N6 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-imino-N'-(5-methyl-1H-pyrazol-3-yl)-3-piperidin-1-ylpropanimidamide.

Molecular Properties

Compound Name3-imino-N'-(5-methyl-1H-pyrazol-3-yl)-3-piperidin-1-ylpropanimidamide
PubChem CID123461673
Molecular FormulaC12H20N6
Molecular Weight248.33 g/mol
Exact Mass248.17
IUPAC Name3-imino-N'-(5-methyl-1H-pyrazol-3-yl)-3-piperidin-1-ylpropanimidamide
SMILES[H]/N=C(/C/C(N)=N/c1cc(C)[nH]n1)N1CCCCC1
InChIInChI=1S/C12H20N6/c1-9-7-12(17-16-9)15-10(13)8-11(14)18-5-3-2-4-6-18/h7,14H,2-6,8H2,1H3,(H3,13,15,16,17)/b14-11-
InChIKeySAPWSZGTSPHNLS-KAMYIIQDSA-N
XLogP1.56
TPSA94.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-imino-N'-(5-methyl-1H-pyrazol-3-yl)-3-piperidin-1-ylpropanimidamide?
The IUPAC name of 3-imino-N'-(5-methyl-1H-pyrazol-3-yl)-3-piperidin-1-ylpropanimidamide (CID 123461673) is 3-imino-N'-(5-methyl-1H-pyrazol-3-yl)-3-piperidin-1-ylpropanimidamide.
What is the SMILES notation for 3-imino-N'-(5-methyl-1H-pyrazol-3-yl)-3-piperidin-1-ylpropanimidamide?
The canonical SMILES for 3-imino-N'-(5-methyl-1H-pyrazol-3-yl)-3-piperidin-1-ylpropanimidamide is [H]/N=C(/C/C(N)=N/c1cc(C)[nH]n1)N1CCCCC1.
What is the InChIKey of 3-imino-N'-(5-methyl-1H-pyrazol-3-yl)-3-piperidin-1-ylpropanimidamide?
The InChIKey is SAPWSZGTSPHNLS-KAMYIIQDSA-N. The full InChI is InChI=1S/C12H20N6/c1-9-7-12(17-16-9)15-10(13)8-11(14)18-5-3-2-4-6-18/h7,14H,2-6,8H2,1H3,(H3,13,15,16,17)/b14-11-.
What are the key properties of 3-imino-N'-(5-methyl-1H-pyrazol-3-yl)-3-piperidin-1-ylpropanimidamide?
3-imino-N'-(5-methyl-1H-pyrazol-3-yl)-3-piperidin-1-ylpropanimidamide has a molecular weight of 248.33 g/mol, XLogP of 1.56, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imino-N'-(5-methyl-1H-pyrazol-3-yl)-3-piperidin-1-ylpropanimidamide is sourced from PubChem (CID 123461673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).