1-(1,3-diethylpyrazol-5-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine

C13H21F4N3O — CID 103475043

IUPAC1-(1,3-diethylpyrazol-5-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine
SMILESCCc1cc(CC(N)COCC(F)(F)C(F)F)n(CC)n1
InChIInChI=1S/C13H21F4N3O/c1-3-10-6-11(20(4-2)19-10)5-9(18)7-21-8-13(16,17)12(14)15/h6,9,12H,3-5,7-8,18H2,1-2H3
InChIKeyIQHVBHPENHSONH-UHFFFAOYSA-N
MW311.32 g/mol
LogP2.25
Rot. Bonds9

About 1-(1,3-diethylpyrazol-5-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine

1-(1,3-diethylpyrazol-5-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine (PubChem CID 103475043) has the molecular formula C13H21F4N3O and a molecular weight of 311.32 g/mol. Its IUPAC name is 1-(1,3-diethylpyrazol-5-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine.

Molecular Properties

Compound Name1-(1,3-diethylpyrazol-5-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine
PubChem CID103475043
Molecular FormulaC13H21F4N3O
Molecular Weight311.32 g/mol
Exact Mass311.16
IUPAC Name1-(1,3-diethylpyrazol-5-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine
SMILESCCc1cc(CC(N)COCC(F)(F)C(F)F)n(CC)n1
InChIInChI=1S/C13H21F4N3O/c1-3-10-6-11(20(4-2)19-10)5-9(18)7-21-8-13(16,17)12(14)15/h6,9,12H,3-5,7-8,18H2,1-2H3
InChIKeyIQHVBHPENHSONH-UHFFFAOYSA-N
XLogP2.25
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-ethyl-5-methylpyrazol-3-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine
CID 103474996
1-(1,3-diethylpyrazol-5-yl)hexan-2-amine
CID 79411779
1-(2,2,3,3-tetrafluoropropoxy)-3-(2,4,6-trimethylphenyl)propan-2-amine
CID 103474840
4-(1,3-diethylpyrazol-5-yl)-2,3-dimethylbutan-1-amine
CID 81013547
1-chloro-3-(1,3-diethylpyrazol-5-yl)-1,1-difluoropropan-2-ol
CID 112575301
tert-butyl 2-amino-3-(1,3-diethylpyrazol-5-yl)propanoate
CID 83226023
1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103215689
2-[(1,3-diethylpyrazol-5-yl)methyl]-2-fluoro-3,3-dimethylbutan-1-amine
CID 112566711
1-(5-chloro-2-methoxyphenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine
CID 103475184
1-propoxy-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine
CID 103475048
1-(1,3-diethylpyrazol-5-yl)-3-ethylpentane-2,3-diol
CID 103449476
[1-(1,3-diethylpyrazol-5-yl)-3-methylpentan-2-yl]hydrazine
CID 105219741

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-diethylpyrazol-5-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine?
The IUPAC name of 1-(1,3-diethylpyrazol-5-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine (CID 103475043) is 1-(1,3-diethylpyrazol-5-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine.
What is the SMILES notation for 1-(1,3-diethylpyrazol-5-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine?
The canonical SMILES for 1-(1,3-diethylpyrazol-5-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine is CCc1cc(CC(N)COCC(F)(F)C(F)F)n(CC)n1.
What is the InChIKey of 1-(1,3-diethylpyrazol-5-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine?
The InChIKey is IQHVBHPENHSONH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F4N3O/c1-3-10-6-11(20(4-2)19-10)5-9(18)7-21-8-13(16,17)12(14)15/h6,9,12H,3-5,7-8,18H2,1-2H3.
What are the key properties of 1-(1,3-diethylpyrazol-5-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine?
1-(1,3-diethylpyrazol-5-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine has a molecular weight of 311.32 g/mol, XLogP of 2.25, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-diethylpyrazol-5-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine is sourced from PubChem (CID 103475043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).