1-(1-cyclopentylpyrazol-3-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine

C14H22F3N3O — CID 103148124

IUPAC1-(1-cyclopentylpyrazol-3-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine
SMILESNC(CCOCC(F)(F)F)Cc1ccn(C2CCCC2)n1
InChIInChI=1S/C14H22F3N3O/c15-14(16,17)10-21-8-6-11(18)9-12-5-7-20(19-12)13-3-1-2-4-13/h5,7,11,13H,1-4,6,8-10,18H2
InChIKeyBASNEHXJZDIIMD-UHFFFAOYSA-N
MW305.34 g/mol
LogP2.84
Rot. Bonds7

About 1-(1-cyclopentylpyrazol-3-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine

1-(1-cyclopentylpyrazol-3-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine (PubChem CID 103148124) has the molecular formula C14H22F3N3O and a molecular weight of 305.34 g/mol. Its IUPAC name is 1-(1-cyclopentylpyrazol-3-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine.

Molecular Properties

Compound Name1-(1-cyclopentylpyrazol-3-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine
PubChem CID103148124
Molecular FormulaC14H22F3N3O
Molecular Weight305.34 g/mol
Exact Mass305.17
IUPAC Name1-(1-cyclopentylpyrazol-3-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine
SMILESNC(CCOCC(F)(F)F)Cc1ccn(C2CCCC2)n1
InChIInChI=1S/C14H22F3N3O/c15-14(16,17)10-21-8-6-11(18)9-12-5-7-20(19-12)13-3-1-2-4-13/h5,7,11,13H,1-4,6,8-10,18H2
InChIKeyBASNEHXJZDIIMD-UHFFFAOYSA-N
XLogP2.84
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.84
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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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopentylpyrazol-3-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine?
The IUPAC name of 1-(1-cyclopentylpyrazol-3-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine (CID 103148124) is 1-(1-cyclopentylpyrazol-3-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine.
What is the SMILES notation for 1-(1-cyclopentylpyrazol-3-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine?
The canonical SMILES for 1-(1-cyclopentylpyrazol-3-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine is NC(CCOCC(F)(F)F)Cc1ccn(C2CCCC2)n1.
What is the InChIKey of 1-(1-cyclopentylpyrazol-3-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine?
The InChIKey is BASNEHXJZDIIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3N3O/c15-14(16,17)10-21-8-6-11(18)9-12-5-7-20(19-12)13-3-1-2-4-13/h5,7,11,13H,1-4,6,8-10,18H2.
What are the key properties of 1-(1-cyclopentylpyrazol-3-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine?
1-(1-cyclopentylpyrazol-3-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine has a molecular weight of 305.34 g/mol, XLogP of 2.84, 7 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-(2,2,2-trifluoroethoxy)butan-2-amine is sourced from PubChem (CID 103148124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).