2-[4-[3-amino-3-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]imino]propanimidoyl]piperazin-1-yl]acetamide

C15H24N8O — CID 123256441

IUPAC2-[4-[3-amino-3-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]imino]propanimidoyl]piperazin-1-yl]acetamide
SMILES[H]/N=C(\C/C(N)=N/c1cc(/C=C/C)[nH]n1)N1CCN(CC(N)=O)CC1
InChIInChI=1S/C15H24N8O/c1-2-3-11-8-15(21-20-11)19-12(16)9-13(17)23-6-4-22(5-7-23)10-14(18)24/h2-3,8,17H,4-7,9-10H2,1H3,(H2,18,24)(H3,16,19,20,21)/b3-2+,17-13+
InChIKeyUFQKWICWWXIPPB-PBYWIJKSSA-N
MW332.41 g/mol
LogP-0.10
Rot. Bonds6

About 2-[4-[3-amino-3-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]imino]propanimidoyl]piperazin-1-yl]acetamide

2-[4-[3-amino-3-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]imino]propanimidoyl]piperazin-1-yl]acetamide (PubChem CID 123256441) has the molecular formula C15H24N8O and a molecular weight of 332.41 g/mol. Its IUPAC name is 2-[4-[3-amino-3-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]imino]propanimidoyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[3-amino-3-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]imino]propanimidoyl]piperazin-1-yl]acetamide
PubChem CID123256441
Molecular FormulaC15H24N8O
Molecular Weight332.41 g/mol
Exact Mass332.21
IUPAC Name2-[4-[3-amino-3-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]imino]propanimidoyl]piperazin-1-yl]acetamide
SMILES[H]/N=C(\C/C(N)=N/c1cc(/C=C/C)[nH]n1)N1CCN(CC(N)=O)CC1
InChIInChI=1S/C15H24N8O/c1-2-3-11-8-15(21-20-11)19-12(16)9-13(17)23-6-4-22(5-7-23)10-14(18)24/h2-3,8,17H,4-7,9-10H2,1H3,(H2,18,24)(H3,16,19,20,21)/b3-2+,17-13+
InChIKeyUFQKWICWWXIPPB-PBYWIJKSSA-N
XLogP-0.10
TPSA140.48 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 5-0.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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 2-[4-[3-amino-3-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]imino]propanimidoyl]piperazin-1-yl]acetamide?
The IUPAC name of 2-[4-[3-amino-3-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]imino]propanimidoyl]piperazin-1-yl]acetamide (CID 123256441) is 2-[4-[3-amino-3-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]imino]propanimidoyl]piperazin-1-yl]acetamide.
What is the SMILES notation for 2-[4-[3-amino-3-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]imino]propanimidoyl]piperazin-1-yl]acetamide?
The canonical SMILES for 2-[4-[3-amino-3-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]imino]propanimidoyl]piperazin-1-yl]acetamide is [H]/N=C(\C/C(N)=N/c1cc(/C=C/C)[nH]n1)N1CCN(CC(N)=O)CC1.
What is the InChIKey of 2-[4-[3-amino-3-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]imino]propanimidoyl]piperazin-1-yl]acetamide?
The InChIKey is UFQKWICWWXIPPB-PBYWIJKSSA-N. The full InChI is InChI=1S/C15H24N8O/c1-2-3-11-8-15(21-20-11)19-12(16)9-13(17)23-6-4-22(5-7-23)10-14(18)24/h2-3,8,17H,4-7,9-10H2,1H3,(H2,18,24)(H3,16,19,20,21)/b3-2+,17-13+.
What are the key properties of 2-[4-[3-amino-3-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]imino]propanimidoyl]piperazin-1-yl]acetamide?
2-[4-[3-amino-3-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]imino]propanimidoyl]piperazin-1-yl]acetamide has a molecular weight of 332.41 g/mol, XLogP of -0.10, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-amino-3-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]imino]propanimidoyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 123256441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).