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

C13H21N3 — CID 103394007

IUPAC3-[(1-pentan-3-ylpyrazol-3-yl)methylidene]cyclobutan-1-amine
SMILESCCC(CC)n1ccc(C=C2CC(N)C2)n1
InChIInChI=1S/C13H21N3/c1-3-13(4-2)16-6-5-12(15-16)9-10-7-11(14)8-10/h5-6,9,11,13H,3-4,7-8,14H2,1-2H3/b10-9-
InChIKeyYVSROWLXGHRHGW-KTKRTIGZSA-N
MW219.33 g/mol
LogP2.75
Rot. Bonds4

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

3-[(1-pentan-3-ylpyrazol-3-yl)methylidene]cyclobutan-1-amine (PubChem CID 103394007) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 3-[(1-pentan-3-ylpyrazol-3-yl)methylidene]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[(1-pentan-3-ylpyrazol-3-yl)methylidene]cyclobutan-1-amine
PubChem CID103394007
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name3-[(1-pentan-3-ylpyrazol-3-yl)methylidene]cyclobutan-1-amine
SMILESCCC(CC)n1ccc(C=C2CC(N)C2)n1
InChIInChI=1S/C13H21N3/c1-3-13(4-2)16-6-5-12(15-16)9-10-7-11(14)8-10/h5-6,9,11,13H,3-4,7-8,14H2,1-2H3/b10-9-
InChIKeyYVSROWLXGHRHGW-KTKRTIGZSA-N
XLogP2.75
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-pentan-3-ylpyrazol-3-yl)methylidene]cyclobutan-1-amine?
The IUPAC name of 3-[(1-pentan-3-ylpyrazol-3-yl)methylidene]cyclobutan-1-amine (CID 103394007) is 3-[(1-pentan-3-ylpyrazol-3-yl)methylidene]cyclobutan-1-amine.
What is the SMILES notation for 3-[(1-pentan-3-ylpyrazol-3-yl)methylidene]cyclobutan-1-amine?
The canonical SMILES for 3-[(1-pentan-3-ylpyrazol-3-yl)methylidene]cyclobutan-1-amine is CCC(CC)n1ccc(C=C2CC(N)C2)n1.
What is the InChIKey of 3-[(1-pentan-3-ylpyrazol-3-yl)methylidene]cyclobutan-1-amine?
The InChIKey is YVSROWLXGHRHGW-KTKRTIGZSA-N. The full InChI is InChI=1S/C13H21N3/c1-3-13(4-2)16-6-5-12(15-16)9-10-7-11(14)8-10/h5-6,9,11,13H,3-4,7-8,14H2,1-2H3/b10-9-.
What are the key properties of 3-[(1-pentan-3-ylpyrazol-3-yl)methylidene]cyclobutan-1-amine?
3-[(1-pentan-3-ylpyrazol-3-yl)methylidene]cyclobutan-1-amine has a molecular weight of 219.33 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-pentan-3-ylpyrazol-3-yl)methylidene]cyclobutan-1-amine is sourced from PubChem (CID 103394007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).