2-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclobutan-1-amine

C13H23N3 — CID 81013620

IUPAC2-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclobutan-1-amine
SMILESCCC(CC)n1ccc(CC2CCC2N)n1
InChIInChI=1S/C13H23N3/c1-3-12(4-2)16-8-7-11(15-16)9-10-5-6-13(10)14/h7-8,10,12-13H,3-6,9,14H2,1-2H3
InChIKeyCHMHKSJGXJECBT-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.52
Rot. Bonds5

About 2-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclobutan-1-amine

2-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclobutan-1-amine (PubChem CID 81013620) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 2-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name2-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclobutan-1-amine
PubChem CID81013620
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name2-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclobutan-1-amine
SMILESCCC(CC)n1ccc(CC2CCC2N)n1
InChIInChI=1S/C13H23N3/c1-3-12(4-2)16-8-7-11(15-16)9-10-5-6-13(10)14/h7-8,10,12-13H,3-6,9,14H2,1-2H3
InChIKeyCHMHKSJGXJECBT-UHFFFAOYSA-N
XLogP2.52
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclobutan-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

Related Compounds

3-[(3-bromo-2-methylcyclopentyl)methyl]-1-pentan-3-ylpyrazole
CID 64907749
3-(bromomethyl)-1-pentan-3-ylpyrazole
CID 81222884
N-ethyl-3-[(1-pentan-3-ylpyrazol-3-yl)methyl]oxan-4-amine
CID 106469287
1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrolidin-3-amine
CID 64785981
1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-3-amine
CID 64785595
1-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine
CID 64785884
3-[(1-pentan-3-ylpyrazol-3-yl)methyl]oxan-4-one
CID 106468639
3-ethyl-2-methyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclopentan-1-amine
CID 64921580
1-cyclohexyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine
CID 104991709
1-cycloheptyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine
CID 104991829
4-[(1-pentan-3-ylpyrazol-3-yl)methylidene]cyclohexan-1-amine
CID 79880091
1,1-dicyclopropyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]methanamine
CID 64800483

Frequently Asked Questions

What is the IUPAC name of 2-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclobutan-1-amine?
The IUPAC name of 2-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclobutan-1-amine (CID 81013620) is 2-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 2-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclobutan-1-amine?
The canonical SMILES for 2-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclobutan-1-amine is CCC(CC)n1ccc(CC2CCC2N)n1.
What is the InChIKey of 2-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclobutan-1-amine?
The InChIKey is CHMHKSJGXJECBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-3-12(4-2)16-8-7-11(15-16)9-10-5-6-13(10)14/h7-8,10,12-13H,3-6,9,14H2,1-2H3.
What are the key properties of 2-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclobutan-1-amine?
2-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclobutan-1-amine has a molecular weight of 221.35 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 81013620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).