3-cyclopentyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine

C16H29N3 — CID 103776530

IUPAC3-cyclopentyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine
SMILESCc1nn(C)c(C)c1C(C)NCCCC1CCCC1
InChIInChI=1S/C16H29N3/c1-12(16-13(2)18-19(4)14(16)3)17-11-7-10-15-8-5-6-9-15/h12,15,17H,5-11H2,1-4H3
InChIKeyXDRUQCOZABGNPA-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.66
Rot. Bonds6

About 3-cyclopentyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine

3-cyclopentyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine (PubChem CID 103776530) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 3-cyclopentyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name3-cyclopentyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine
PubChem CID103776530
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name3-cyclopentyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine
SMILESCc1nn(C)c(C)c1C(C)NCCCC1CCCC1
InChIInChI=1S/C16H29N3/c1-12(16-13(2)18-19(4)14(16)3)17-11-7-10-15-8-5-6-9-15/h12,15,17H,5-11H2,1-4H3
InChIKeyXDRUQCOZABGNPA-UHFFFAOYSA-N
XLogP3.66
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-cyclopentyl-N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 103776522
N-[2-(cyclopropylmethoxy)ethyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 103782851
5-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]pentan-2-ol
CID 107270383
3-cyclopentyl-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]propan-1-amine
CID 106009012
2,2-dimethyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]butan-1-amine
CID 103460633
(1R)-1-cycloheptyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]ethanamine
CID 81391838
N-[(2,2-dimethylcyclopropyl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 113348518
3-cyclotetradecyl-N-propan-2-ylpropan-1-amine
CID 91804535
3-cyclopropyl-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 115890681
N-[(1-propylcyclopropyl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 103903763
3-phenoxy-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 62379121
[1-[[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]methyl]cyclohexyl]methanol
CID 115892930

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine?
The IUPAC name of 3-cyclopentyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine (CID 103776530) is 3-cyclopentyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine.
What is the SMILES notation for 3-cyclopentyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine?
The canonical SMILES for 3-cyclopentyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine is Cc1nn(C)c(C)c1C(C)NCCCC1CCCC1.
What is the InChIKey of 3-cyclopentyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine?
The InChIKey is XDRUQCOZABGNPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-12(16-13(2)18-19(4)14(16)3)17-11-7-10-15-8-5-6-9-15/h12,15,17H,5-11H2,1-4H3.
What are the key properties of 3-cyclopentyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine?
3-cyclopentyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine is sourced from PubChem (CID 103776530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).