2-cyclopentyl-3-(2,5-dimethylpyrazol-3-yl)-N-propylpropan-1-amine

C16H29N3 — CID 112569917

IUPAC2-cyclopentyl-3-(2,5-dimethylpyrazol-3-yl)-N-propylpropan-1-amine
SMILESCCCNCC(Cc1cc(C)nn1C)C1CCCC1
InChIInChI=1S/C16H29N3/c1-4-9-17-12-15(14-7-5-6-8-14)11-16-10-13(2)18-19(16)3/h10,14-15,17H,4-9,11-12H2,1-3H3
InChIKeyUDUONECNCADVOP-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.08
Rot. Bonds7

About 2-cyclopentyl-3-(2,5-dimethylpyrazol-3-yl)-N-propylpropan-1-amine

2-cyclopentyl-3-(2,5-dimethylpyrazol-3-yl)-N-propylpropan-1-amine (PubChem CID 112569917) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 2-cyclopentyl-3-(2,5-dimethylpyrazol-3-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name2-cyclopentyl-3-(2,5-dimethylpyrazol-3-yl)-N-propylpropan-1-amine
PubChem CID112569917
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name2-cyclopentyl-3-(2,5-dimethylpyrazol-3-yl)-N-propylpropan-1-amine
SMILESCCCNCC(Cc1cc(C)nn1C)C1CCCC1
InChIInChI=1S/C16H29N3/c1-4-9-17-12-15(14-7-5-6-8-14)11-16-10-13(2)18-19(16)3/h10,14-15,17H,4-9,11-12H2,1-3H3
InChIKeyUDUONECNCADVOP-UHFFFAOYSA-N
XLogP3.08
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.08
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

2-cyclopentyl-3-(2,5-dimethylpyrazol-3-yl)-N-methylpropan-1-amine
CID 112569707
1-cyclopentyl-3-(2,5-dimethylpyrazol-3-yl)-N-propylpropan-2-amine
CID 104996236
1-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)-1-methoxy-N-propylpropan-2-amine
CID 116722727
3-(5-bromo-3-pyridinyl)-2-cyclopentyl-N-propylpropan-1-amine
CID 104810963
3-(4-bromophenyl)-2-cyclopentyl-N-propylpropan-1-amine
CID 82932863
2-cyclopentyl-3-(5-ethylthiophen-2-yl)-N-propylpropan-1-amine
CID 112569956
2-cyclohexyl-N-propylpentan-1-amine
CID 82932453
3-cyclopropyl-1-(2,5-dimethylpyrazol-3-yl)butan-2-ol
CID 115811630
3-(2-chlorophenyl)-2-cyclopentyl-N-propylpropan-1-amine
CID 82934267
3-(4-chlorophenyl)-2-cyclohexyl-N-propylpropan-1-amine
CID 82932711
2-cycloheptyl-3-(4-fluorophenyl)-N-propylpropan-1-amine
CID 82933178
2-cyclopentyl-N-propyl-3-trimethylsilylpropan-1-amine
CID 106323935

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-3-(2,5-dimethylpyrazol-3-yl)-N-propylpropan-1-amine?
The IUPAC name of 2-cyclopentyl-3-(2,5-dimethylpyrazol-3-yl)-N-propylpropan-1-amine (CID 112569917) is 2-cyclopentyl-3-(2,5-dimethylpyrazol-3-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 2-cyclopentyl-3-(2,5-dimethylpyrazol-3-yl)-N-propylpropan-1-amine?
The canonical SMILES for 2-cyclopentyl-3-(2,5-dimethylpyrazol-3-yl)-N-propylpropan-1-amine is CCCNCC(Cc1cc(C)nn1C)C1CCCC1.
What is the InChIKey of 2-cyclopentyl-3-(2,5-dimethylpyrazol-3-yl)-N-propylpropan-1-amine?
The InChIKey is UDUONECNCADVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-4-9-17-12-15(14-7-5-6-8-14)11-16-10-13(2)18-19(16)3/h10,14-15,17H,4-9,11-12H2,1-3H3.
What are the key properties of 2-cyclopentyl-3-(2,5-dimethylpyrazol-3-yl)-N-propylpropan-1-amine?
2-cyclopentyl-3-(2,5-dimethylpyrazol-3-yl)-N-propylpropan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-3-(2,5-dimethylpyrazol-3-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 112569917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).