3-imino-3-piperidin-1-yl-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide

C14H22N6 — CID 123575457

IUPAC3-imino-3-piperidin-1-yl-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide
SMILES[H]/N=C(\C/C(N)=N/c1cc(/C=C/C)[nH]n1)N1CCCCC1
InChIInChI=1S/C14H22N6/c1-2-6-11-9-14(19-18-11)17-12(15)10-13(16)20-7-4-3-5-8-20/h2,6,9,16H,3-5,7-8,10H2,1H3,(H3,15,17,18,19)/b6-2+,16-13+
InChIKeyQIMBYJMNWLFFBK-UKGZKEPPSA-N
MW274.37 g/mol
LogP2.28
Rot. Bonds4

About 3-imino-3-piperidin-1-yl-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide

3-imino-3-piperidin-1-yl-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide (PubChem CID 123575457) has the molecular formula C14H22N6 and a molecular weight of 274.37 g/mol. Its IUPAC name is 3-imino-3-piperidin-1-yl-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide.

Molecular Properties

Compound Name3-imino-3-piperidin-1-yl-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide
PubChem CID123575457
Molecular FormulaC14H22N6
Molecular Weight274.37 g/mol
Exact Mass274.19
IUPAC Name3-imino-3-piperidin-1-yl-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide
SMILES[H]/N=C(\C/C(N)=N/c1cc(/C=C/C)[nH]n1)N1CCCCC1
InChIInChI=1S/C14H22N6/c1-2-6-11-9-14(19-18-11)17-12(15)10-13(16)20-7-4-3-5-8-20/h2,6,9,16H,3-5,7-8,10H2,1H3,(H3,15,17,18,19)/b6-2+,16-13+
InChIKeyQIMBYJMNWLFFBK-UKGZKEPPSA-N
XLogP2.28
TPSA94.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.28
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-3-piperidin-1-yl-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide?
The IUPAC name of 3-imino-3-piperidin-1-yl-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide (CID 123575457) is 3-imino-3-piperidin-1-yl-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide.
What is the SMILES notation for 3-imino-3-piperidin-1-yl-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide?
The canonical SMILES for 3-imino-3-piperidin-1-yl-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide is [H]/N=C(\C/C(N)=N/c1cc(/C=C/C)[nH]n1)N1CCCCC1.
What is the InChIKey of 3-imino-3-piperidin-1-yl-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide?
The InChIKey is QIMBYJMNWLFFBK-UKGZKEPPSA-N. The full InChI is InChI=1S/C14H22N6/c1-2-6-11-9-14(19-18-11)17-12(15)10-13(16)20-7-4-3-5-8-20/h2,6,9,16H,3-5,7-8,10H2,1H3,(H3,15,17,18,19)/b6-2+,16-13+.
What are the key properties of 3-imino-3-piperidin-1-yl-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide?
3-imino-3-piperidin-1-yl-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide has a molecular weight of 274.37 g/mol, XLogP of 2.28, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imino-3-piperidin-1-yl-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide is sourced from PubChem (CID 123575457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).