1-(1-cyclopentylpyrazol-3-yl)-4-ethoxy-N-methylbutan-2-amine

C15H27N3O — CID 105157055

IUPAC1-(1-cyclopentylpyrazol-3-yl)-4-ethoxy-N-methylbutan-2-amine
SMILESCCOCCC(Cc1ccn(C2CCCC2)n1)NC
InChIInChI=1S/C15H27N3O/c1-3-19-11-9-13(16-2)12-14-8-10-18(17-14)15-6-4-5-7-15/h8,10,13,15-16H,3-7,9,11-12H2,1-2H3
InChIKeyJDBAMKIAPSRQSD-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.56
Rot. Bonds8

About 1-(1-cyclopentylpyrazol-3-yl)-4-ethoxy-N-methylbutan-2-amine

1-(1-cyclopentylpyrazol-3-yl)-4-ethoxy-N-methylbutan-2-amine (PubChem CID 105157055) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-(1-cyclopentylpyrazol-3-yl)-4-ethoxy-N-methylbutan-2-amine.

Molecular Properties

Compound Name1-(1-cyclopentylpyrazol-3-yl)-4-ethoxy-N-methylbutan-2-amine
PubChem CID105157055
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name1-(1-cyclopentylpyrazol-3-yl)-4-ethoxy-N-methylbutan-2-amine
SMILESCCOCCC(Cc1ccn(C2CCCC2)n1)NC
InChIInChI=1S/C15H27N3O/c1-3-19-11-9-13(16-2)12-14-8-10-18(17-14)15-6-4-5-7-15/h8,10,13,15-16H,3-7,9,11-12H2,1-2H3
InChIKeyJDBAMKIAPSRQSD-UHFFFAOYSA-N
XLogP2.56
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(1-cyclohexylpyrazol-3-yl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine
CID 115346312
1-(1-cyclohexylpyrazol-3-yl)-5,5,5-trifluoro-N-methylpentan-2-amine
CID 79954390
1-(1-cyclopentylpyrazol-3-yl)-N,4-dimethylpentan-2-amine
CID 64784145
1-(1-cyclopentylpyrazol-3-yl)-N-ethylbutan-2-amine
CID 64779577
1-(1-cyclopentylpyrazol-3-yl)-3-ethoxy-N-methylbutan-2-amine
CID 64778824
1-(1-cyclopentylpyrazol-3-yl)-N-methyl-3-propylsulfanylpropan-2-amine
CID 65129377
1-butan-2-ylsulfanyl-3-(1-cyclopentylpyrazol-3-yl)-N-methylpropan-2-amine
CID 65136017
1-(1-cyclopentylpyrazol-3-yl)-N-methyl-3-(thian-4-yl)propan-2-amine
CID 105157056
1-(1-cyclopentylpyrazol-3-yl)-N-ethyl-5,5,5-trifluoropentan-2-amine
CID 79954725
1-(1-cyclopentylpyrazol-3-yl)-N,3-dimethylhexan-2-amine
CID 104993857
1-(1-cyclohexylpyrazol-3-yl)-N-propylpentan-2-amine
CID 64778794
1-(1-cyclohexylpyrazol-3-yl)-N-ethyl-3-methylsulfanylpropan-2-amine
CID 64778224

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopentylpyrazol-3-yl)-4-ethoxy-N-methylbutan-2-amine?
The IUPAC name of 1-(1-cyclopentylpyrazol-3-yl)-4-ethoxy-N-methylbutan-2-amine (CID 105157055) is 1-(1-cyclopentylpyrazol-3-yl)-4-ethoxy-N-methylbutan-2-amine.
What is the SMILES notation for 1-(1-cyclopentylpyrazol-3-yl)-4-ethoxy-N-methylbutan-2-amine?
The canonical SMILES for 1-(1-cyclopentylpyrazol-3-yl)-4-ethoxy-N-methylbutan-2-amine is CCOCCC(Cc1ccn(C2CCCC2)n1)NC.
What is the InChIKey of 1-(1-cyclopentylpyrazol-3-yl)-4-ethoxy-N-methylbutan-2-amine?
The InChIKey is JDBAMKIAPSRQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-3-19-11-9-13(16-2)12-14-8-10-18(17-14)15-6-4-5-7-15/h8,10,13,15-16H,3-7,9,11-12H2,1-2H3.
What are the key properties of 1-(1-cyclopentylpyrazol-3-yl)-4-ethoxy-N-methylbutan-2-amine?
1-(1-cyclopentylpyrazol-3-yl)-4-ethoxy-N-methylbutan-2-amine has a molecular weight of 265.40 g/mol, XLogP of 2.56, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopentylpyrazol-3-yl)-4-ethoxy-N-methylbutan-2-amine is sourced from PubChem (CID 105157055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).