1-[4-(2-methyl-1,3-dioxolan-2-yl)butyl]pyrazol-3-amine

C11H19N3O2 — CID 66928481

IUPAC1-[4-(2-methyl-1,3-dioxolan-2-yl)butyl]pyrazol-3-amine
SMILESCC1(CCCCn2ccc(N)n2)OCCO1
InChIInChI=1S/C11H19N3O2/c1-11(15-8-9-16-11)5-2-3-6-14-7-4-10(12)13-14/h4,7H,2-3,5-6,8-9H2,1H3,(H2,12,13)
InChIKeyHYXJQWFPWHPSEV-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.40
Rot. Bonds5

About 1-[4-(2-methyl-1,3-dioxolan-2-yl)butyl]pyrazol-3-amine

1-[4-(2-methyl-1,3-dioxolan-2-yl)butyl]pyrazol-3-amine (PubChem CID 66928481) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-[4-(2-methyl-1,3-dioxolan-2-yl)butyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-[4-(2-methyl-1,3-dioxolan-2-yl)butyl]pyrazol-3-amine
PubChem CID66928481
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name1-[4-(2-methyl-1,3-dioxolan-2-yl)butyl]pyrazol-3-amine
SMILESCC1(CCCCn2ccc(N)n2)OCCO1
InChIInChI=1S/C11H19N3O2/c1-11(15-8-9-16-11)5-2-3-6-14-7-4-10(12)13-14/h4,7H,2-3,5-6,8-9H2,1H3,(H2,12,13)
InChIKeyHYXJQWFPWHPSEV-UHFFFAOYSA-N
XLogP1.40
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[4-(2-methyl-1,3-dioxolan-2-yl)butyl]pyrazol-3-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 1-[4-(2-methyl-1,3-dioxolan-2-yl)butyl]pyrazol-3-amine?
The IUPAC name of 1-[4-(2-methyl-1,3-dioxolan-2-yl)butyl]pyrazol-3-amine (CID 66928481) is 1-[4-(2-methyl-1,3-dioxolan-2-yl)butyl]pyrazol-3-amine.
What is the SMILES notation for 1-[4-(2-methyl-1,3-dioxolan-2-yl)butyl]pyrazol-3-amine?
The canonical SMILES for 1-[4-(2-methyl-1,3-dioxolan-2-yl)butyl]pyrazol-3-amine is CC1(CCCCn2ccc(N)n2)OCCO1.
What is the InChIKey of 1-[4-(2-methyl-1,3-dioxolan-2-yl)butyl]pyrazol-3-amine?
The InChIKey is HYXJQWFPWHPSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-11(15-8-9-16-11)5-2-3-6-14-7-4-10(12)13-14/h4,7H,2-3,5-6,8-9H2,1H3,(H2,12,13).
What are the key properties of 1-[4-(2-methyl-1,3-dioxolan-2-yl)butyl]pyrazol-3-amine?
1-[4-(2-methyl-1,3-dioxolan-2-yl)butyl]pyrazol-3-amine has a molecular weight of 225.29 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methyl-1,3-dioxolan-2-yl)butyl]pyrazol-3-amine is sourced from PubChem (CID 66928481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).