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

C17H31N3 — CID 103776522

IUPAC3-cyclopentyl-N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]propan-1-amine
SMILESCCn1nc(C)c(C(C)NCCCC2CCCC2)c1C
InChIInChI=1S/C17H31N3/c1-5-20-15(4)17(14(3)19-20)13(2)18-12-8-11-16-9-6-7-10-16/h13,16,18H,5-12H2,1-4H3
InChIKeyVSUGDUXUEREHET-UHFFFAOYSA-N
MW277.46 g/mol
LogP4.14
Rot. Bonds7

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

3-cyclopentyl-N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]propan-1-amine (PubChem CID 103776522) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is 3-cyclopentyl-N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name3-cyclopentyl-N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]propan-1-amine
PubChem CID103776522
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC Name3-cyclopentyl-N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]propan-1-amine
SMILESCCn1nc(C)c(C(C)NCCCC2CCCC2)c1C
InChIInChI=1S/C17H31N3/c1-5-20-15(4)17(14(3)19-20)13(2)18-12-8-11-16-9-6-7-10-16/h13,16,18H,5-12H2,1-4H3
InChIKeyVSUGDUXUEREHET-UHFFFAOYSA-N
XLogP4.14
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 54.14
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

(1,3,5-trimethyl-1H-pyrazol-4-yl)methylamine
CID 2776430
US11028083, Example 50
CID 139456609
Sbb010340
CID 6492580
[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl](methyl)amine
CID 7022224
(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methanamine
CID 16394814
2-(3,4,5-Trimethylpyrazol-1-yl)propan-1-amine
CID 6492579
N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 23005746
1,3,5-trimethyl-4-(pyrrolidin-2-yl)-1H-pyrazole
CID 54592636
N-methyl-1-(1,3,5-trimethyl-1H-pyrazol-4-yl)methanamine
CID 579620
3-(trimethyl-1H-pyrazol-4-yl)propan-1-amine
CID 6492154
(3,5-Dimethyl-1-propyl-1H-pyrazol-4-YL)methylamine
CID 19620896
[(1-Isopropyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]amine
CID 23005637

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]propan-1-amine?
The IUPAC name of 3-cyclopentyl-N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]propan-1-amine (CID 103776522) is 3-cyclopentyl-N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]propan-1-amine.
What is the SMILES notation for 3-cyclopentyl-N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]propan-1-amine?
The canonical SMILES for 3-cyclopentyl-N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]propan-1-amine is CCn1nc(C)c(C(C)NCCCC2CCCC2)c1C.
What is the InChIKey of 3-cyclopentyl-N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]propan-1-amine?
The InChIKey is VSUGDUXUEREHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-5-20-15(4)17(14(3)19-20)13(2)18-12-8-11-16-9-6-7-10-16/h13,16,18H,5-12H2,1-4H3.
What are the key properties of 3-cyclopentyl-N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]propan-1-amine?
3-cyclopentyl-N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]propan-1-amine has a molecular weight of 277.46 g/mol, XLogP of 4.14, 7 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-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]propan-1-amine is sourced from PubChem (CID 103776522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).