2-[(1-pentan-3-ylpyrazol-3-yl)methyl]bicyclo[2.2.1]heptan-2-amine

C16H27N3 — CID 65020117

IUPAC2-[(1-pentan-3-ylpyrazol-3-yl)methyl]bicyclo[2.2.1]heptan-2-amine
SMILESCCC(CC)n1ccc(CC2(N)CC3CCC2C3)n1
InChIInChI=1S/C16H27N3/c1-3-15(4-2)19-8-7-14(18-19)11-16(17)10-12-5-6-13(16)9-12/h7-8,12-13,15H,3-6,9-11,17H2,1-2H3
InChIKeyLVEDBBZDGBBZCG-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.30
Rot. Bonds5

About 2-[(1-pentan-3-ylpyrazol-3-yl)methyl]bicyclo[2.2.1]heptan-2-amine

2-[(1-pentan-3-ylpyrazol-3-yl)methyl]bicyclo[2.2.1]heptan-2-amine (PubChem CID 65020117) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-[(1-pentan-3-ylpyrazol-3-yl)methyl]bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name2-[(1-pentan-3-ylpyrazol-3-yl)methyl]bicyclo[2.2.1]heptan-2-amine
PubChem CID65020117
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name2-[(1-pentan-3-ylpyrazol-3-yl)methyl]bicyclo[2.2.1]heptan-2-amine
SMILESCCC(CC)n1ccc(CC2(N)CC3CCC2C3)n1
InChIInChI=1S/C16H27N3/c1-3-15(4-2)19-8-7-14(18-19)11-16(17)10-12-5-6-13(16)9-12/h7-8,12-13,15H,3-6,9-11,17H2,1-2H3
InChIKeyLVEDBBZDGBBZCG-UHFFFAOYSA-N
XLogP3.30
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-3-[(1-pentan-3-ylpyrazol-3-yl)methyl]oxolan-3-amine
CID 104510350
1-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclopentan-1-amine
CID 64785449
3-[(3-methylazetidin-3-yl)methyl]-1-pentan-3-ylpyrazole
CID 79451419
4,4-dimethyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclohexan-1-ol
CID 64784476
2,4,4-trimethyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclopentan-1-ol
CID 106663847
2-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclobutan-1-amine
CID 81013620
2-methoxy-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclohexan-1-ol
CID 106873747
4-methyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclohexane-1-carboxylic acid
CID 65395111
2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 113470727
3-(bromomethyl)-1-pentan-3-ylpyrazole
CID 81222884
8-[(1-pentan-3-ylpyrazol-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 64777691
1-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine
CID 64785884

Frequently Asked Questions

What is the IUPAC name of 2-[(1-pentan-3-ylpyrazol-3-yl)methyl]bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of 2-[(1-pentan-3-ylpyrazol-3-yl)methyl]bicyclo[2.2.1]heptan-2-amine (CID 65020117) is 2-[(1-pentan-3-ylpyrazol-3-yl)methyl]bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for 2-[(1-pentan-3-ylpyrazol-3-yl)methyl]bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for 2-[(1-pentan-3-ylpyrazol-3-yl)methyl]bicyclo[2.2.1]heptan-2-amine is CCC(CC)n1ccc(CC2(N)CC3CCC2C3)n1.
What is the InChIKey of 2-[(1-pentan-3-ylpyrazol-3-yl)methyl]bicyclo[2.2.1]heptan-2-amine?
The InChIKey is LVEDBBZDGBBZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-3-15(4-2)19-8-7-14(18-19)11-16(17)10-12-5-6-13(16)9-12/h7-8,12-13,15H,3-6,9-11,17H2,1-2H3.
What are the key properties of 2-[(1-pentan-3-ylpyrazol-3-yl)methyl]bicyclo[2.2.1]heptan-2-amine?
2-[(1-pentan-3-ylpyrazol-3-yl)methyl]bicyclo[2.2.1]heptan-2-amine has a molecular weight of 261.41 g/mol, XLogP of 3.30, 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]bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 65020117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).