4-[(1-pentan-3-ylpyrazol-3-yl)methylidene]cyclohexan-1-amine

C15H25N3 — CID 79880091

IUPAC4-[(1-pentan-3-ylpyrazol-3-yl)methylidene]cyclohexan-1-amine
SMILESCCC(CC)n1ccc(C=C2CCC(N)CC2)n1
InChIInChI=1S/C15H25N3/c1-3-15(4-2)18-10-9-14(17-18)11-12-5-7-13(16)8-6-12/h9-11,13,15H,3-8,16H2,1-2H3/b12-11-
InChIKeyVGADLYLUQDWOCA-QXMHVHEDSA-N
MW247.39 g/mol
LogP3.53
Rot. Bonds4

About 4-[(1-pentan-3-ylpyrazol-3-yl)methylidene]cyclohexan-1-amine

4-[(1-pentan-3-ylpyrazol-3-yl)methylidene]cyclohexan-1-amine (PubChem CID 79880091) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 4-[(1-pentan-3-ylpyrazol-3-yl)methylidene]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[(1-pentan-3-ylpyrazol-3-yl)methylidene]cyclohexan-1-amine
PubChem CID79880091
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name4-[(1-pentan-3-ylpyrazol-3-yl)methylidene]cyclohexan-1-amine
SMILESCCC(CC)n1ccc(C=C2CCC(N)CC2)n1
InChIInChI=1S/C15H25N3/c1-3-15(4-2)18-10-9-14(17-18)11-12-5-7-13(16)8-6-12/h9-11,13,15H,3-8,16H2,1-2H3/b12-11-
InChIKeyVGADLYLUQDWOCA-QXMHVHEDSA-N
XLogP3.53
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-pentan-3-ylpyrazol-3-yl)methylidene]cyclohexan-1-amine?
The IUPAC name of 4-[(1-pentan-3-ylpyrazol-3-yl)methylidene]cyclohexan-1-amine (CID 79880091) is 4-[(1-pentan-3-ylpyrazol-3-yl)methylidene]cyclohexan-1-amine.
What is the SMILES notation for 4-[(1-pentan-3-ylpyrazol-3-yl)methylidene]cyclohexan-1-amine?
The canonical SMILES for 4-[(1-pentan-3-ylpyrazol-3-yl)methylidene]cyclohexan-1-amine is CCC(CC)n1ccc(C=C2CCC(N)CC2)n1.
What is the InChIKey of 4-[(1-pentan-3-ylpyrazol-3-yl)methylidene]cyclohexan-1-amine?
The InChIKey is VGADLYLUQDWOCA-QXMHVHEDSA-N. The full InChI is InChI=1S/C15H25N3/c1-3-15(4-2)18-10-9-14(17-18)11-12-5-7-13(16)8-6-12/h9-11,13,15H,3-8,16H2,1-2H3/b12-11-.
What are the key properties of 4-[(1-pentan-3-ylpyrazol-3-yl)methylidene]cyclohexan-1-amine?
4-[(1-pentan-3-ylpyrazol-3-yl)methylidene]cyclohexan-1-amine has a molecular weight of 247.39 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-pentan-3-ylpyrazol-3-yl)methylidene]cyclohexan-1-amine is sourced from PubChem (CID 79880091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).