4-[4-[(1-methylpyrazol-3-yl)methyl]piperazin-1-yl]butan-1-amine

C13H25N5 — CID 82866697

IUPAC4-[4-[(1-methylpyrazol-3-yl)methyl]piperazin-1-yl]butan-1-amine
SMILESCn1ccc(CN2CCN(CCCCN)CC2)n1
InChIInChI=1S/C13H25N5/c1-16-7-4-13(15-16)12-18-10-8-17(9-11-18)6-3-2-5-14/h4,7H,2-3,5-6,8-12,14H2,1H3
InChIKeyGTRUCHRIFQUAEU-UHFFFAOYSA-N
MW251.38 g/mol
LogP0.28
Rot. Bonds6

About 4-[4-[(1-methylpyrazol-3-yl)methyl]piperazin-1-yl]butan-1-amine

4-[4-[(1-methylpyrazol-3-yl)methyl]piperazin-1-yl]butan-1-amine (PubChem CID 82866697) has the molecular formula C13H25N5 and a molecular weight of 251.38 g/mol. Its IUPAC name is 4-[4-[(1-methylpyrazol-3-yl)methyl]piperazin-1-yl]butan-1-amine.

Molecular Properties

Compound Name4-[4-[(1-methylpyrazol-3-yl)methyl]piperazin-1-yl]butan-1-amine
PubChem CID82866697
Molecular FormulaC13H25N5
Molecular Weight251.38 g/mol
Exact Mass251.21
IUPAC Name4-[4-[(1-methylpyrazol-3-yl)methyl]piperazin-1-yl]butan-1-amine
SMILESCn1ccc(CN2CCN(CCCCN)CC2)n1
InChIInChI=1S/C13H25N5/c1-16-7-4-13(15-16)12-18-10-8-17(9-11-18)6-3-2-5-14/h4,7H,2-3,5-6,8-12,14H2,1H3
InChIKeyGTRUCHRIFQUAEU-UHFFFAOYSA-N
XLogP0.28
TPSA50.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[4-[(1-methylpyrazol-3-yl)methyl]piperazin-1-yl]butan-1-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(1-methylpyrazol-3-yl)methyl]piperazin-1-yl]butan-1-amine?
The IUPAC name of 4-[4-[(1-methylpyrazol-3-yl)methyl]piperazin-1-yl]butan-1-amine (CID 82866697) is 4-[4-[(1-methylpyrazol-3-yl)methyl]piperazin-1-yl]butan-1-amine.
What is the SMILES notation for 4-[4-[(1-methylpyrazol-3-yl)methyl]piperazin-1-yl]butan-1-amine?
The canonical SMILES for 4-[4-[(1-methylpyrazol-3-yl)methyl]piperazin-1-yl]butan-1-amine is Cn1ccc(CN2CCN(CCCCN)CC2)n1.
What is the InChIKey of 4-[4-[(1-methylpyrazol-3-yl)methyl]piperazin-1-yl]butan-1-amine?
The InChIKey is GTRUCHRIFQUAEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5/c1-16-7-4-13(15-16)12-18-10-8-17(9-11-18)6-3-2-5-14/h4,7H,2-3,5-6,8-12,14H2,1H3.
What are the key properties of 4-[4-[(1-methylpyrazol-3-yl)methyl]piperazin-1-yl]butan-1-amine?
4-[4-[(1-methylpyrazol-3-yl)methyl]piperazin-1-yl]butan-1-amine has a molecular weight of 251.38 g/mol, XLogP of 0.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(1-methylpyrazol-3-yl)methyl]piperazin-1-yl]butan-1-amine is sourced from PubChem (CID 82866697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).