3-[4-(hydroxymethyl)piperidin-1-yl]-3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide

C15H24N6O — CID 123453736

IUPAC3-[4-(hydroxymethyl)piperidin-1-yl]-3-imino-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)N1CCC(CO)CC1
InChIInChI=1S/C15H24N6O/c1-2-3-12-8-15(20-19-12)18-13(16)9-14(17)21-6-4-11(10-22)5-7-21/h2-3,8,11,17,22H,4-7,9-10H2,1H3,(H3,16,18,19,20)/b3-2+,17-14+
InChIKeyZNQGFSXBWUOTCO-ISJMYAIPSA-N
MW304.40 g/mol
LogP1.50
Rot. Bonds5

About 3-[4-(hydroxymethyl)piperidin-1-yl]-3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide

3-[4-(hydroxymethyl)piperidin-1-yl]-3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide (PubChem CID 123453736) has the molecular formula C15H24N6O and a molecular weight of 304.40 g/mol. Its IUPAC name is 3-[4-(hydroxymethyl)piperidin-1-yl]-3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide.

Molecular Properties

Compound Name3-[4-(hydroxymethyl)piperidin-1-yl]-3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide
PubChem CID123453736
Molecular FormulaC15H24N6O
Molecular Weight304.40 g/mol
Exact Mass304.20
IUPAC Name3-[4-(hydroxymethyl)piperidin-1-yl]-3-imino-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)N1CCC(CO)CC1
InChIInChI=1S/C15H24N6O/c1-2-3-12-8-15(20-19-12)18-13(16)9-14(17)21-6-4-11(10-22)5-7-21/h2-3,8,11,17,22H,4-7,9-10H2,1H3,(H3,16,18,19,20)/b3-2+,17-14+
InChIKeyZNQGFSXBWUOTCO-ISJMYAIPSA-N
XLogP1.50
TPSA114.38 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 51.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[4-(hydroxymethyl)piperidin-1-yl]-3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-fluoropiperidin-1-yl)-3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide
CID 123901834
3-imino-3-(4-methylpiperazin-1-yl)-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide
CID 123139855
3-(3-hydroxypyrrolidin-1-yl)-3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide
CID 123196514
3-(3-hydroxyazetidin-1-yl)-3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide
CID 123245421
3-[4-(hydroxymethyl)piperidin-1-yl]-3-imino-N'-(5-methyl-1H-pyrazol-3-yl)propanimidamide
CID 123287687
3-(4-ethylpiperazin-1-yl)-3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide
CID 123310452
3-imino-3-morpholin-4-yl-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide
CID 123395401
N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[4-(hydroxymethyl)piperidin-1-yl]-3-iminopropanimidamide
CID 123428307
3-imino-3-morpholin-4-yl-N'-[5-[(Z)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide
CID 123510194
3-[4-(2-hydroxyethyl)piperazin-1-yl]-3-imino-N'-[5-[(Z)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide
CID 123522512
3-imino-3-piperidin-1-yl-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide
CID 123575457
3-imino-3-[4-(2-methoxyethyl)piperazin-1-yl]-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide
CID 123703333

Frequently Asked Questions

What is the IUPAC name of 3-[4-(hydroxymethyl)piperidin-1-yl]-3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide?
The IUPAC name of 3-[4-(hydroxymethyl)piperidin-1-yl]-3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide (CID 123453736) is 3-[4-(hydroxymethyl)piperidin-1-yl]-3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide.
What is the SMILES notation for 3-[4-(hydroxymethyl)piperidin-1-yl]-3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide?
The canonical SMILES for 3-[4-(hydroxymethyl)piperidin-1-yl]-3-imino-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)N1CCC(CO)CC1.
What is the InChIKey of 3-[4-(hydroxymethyl)piperidin-1-yl]-3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide?
The InChIKey is ZNQGFSXBWUOTCO-ISJMYAIPSA-N. The full InChI is InChI=1S/C15H24N6O/c1-2-3-12-8-15(20-19-12)18-13(16)9-14(17)21-6-4-11(10-22)5-7-21/h2-3,8,11,17,22H,4-7,9-10H2,1H3,(H3,16,18,19,20)/b3-2+,17-14+.
What are the key properties of 3-[4-(hydroxymethyl)piperidin-1-yl]-3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide?
3-[4-(hydroxymethyl)piperidin-1-yl]-3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide has a molecular weight of 304.40 g/mol, XLogP of 1.50, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(hydroxymethyl)piperidin-1-yl]-3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide is sourced from PubChem (CID 123453736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).