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

C12H19F4N3O — CID 103474996

IUPAC1-(2-ethyl-5-methylpyrazol-3-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine
SMILESCCn1nc(C)cc1CC(N)COCC(F)(F)C(F)F
InChIInChI=1S/C12H19F4N3O/c1-3-19-10(4-8(2)18-19)5-9(17)6-20-7-12(15,16)11(13)14/h4,9,11H,3,5-7,17H2,1-2H3
InChIKeyKZNRJCRBGHFNSJ-UHFFFAOYSA-N
MW297.30 g/mol
LogP2.00
Rot. Bonds8

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

1-(2-ethyl-5-methylpyrazol-3-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine (PubChem CID 103474996) has the molecular formula C12H19F4N3O and a molecular weight of 297.30 g/mol. Its IUPAC name is 1-(2-ethyl-5-methylpyrazol-3-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine.

Molecular Properties

Compound Name1-(2-ethyl-5-methylpyrazol-3-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine
PubChem CID103474996
Molecular FormulaC12H19F4N3O
Molecular Weight297.30 g/mol
Exact Mass297.15
IUPAC Name1-(2-ethyl-5-methylpyrazol-3-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine
SMILESCCn1nc(C)cc1CC(N)COCC(F)(F)C(F)F
InChIInChI=1S/C12H19F4N3O/c1-3-19-10(4-8(2)18-19)5-9(17)6-20-7-12(15,16)11(13)14/h4,9,11H,3,5-7,17H2,1-2H3
InChIKeyKZNRJCRBGHFNSJ-UHFFFAOYSA-N
XLogP2.00
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 52.00
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-(1,3-diethylpyrazol-5-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine
CID 103475043
1-(2-ethyl-5-methylpyrazol-3-yl)-3-methoxybutan-2-amine
CID 79616916
1-(2-ethyl-5-methylpyrazol-3-yl)propan-2-ylhydrazine
CID 105201198
[1-(2-ethyl-5-methylpyrazol-3-yl)-3,3-dimethylbutan-2-yl]hydrazine
CID 105202931
1-(4-bromo-1-ethylpyrazol-5-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
CID 103475129
3-N,3-N-diethyl-1-(2-ethyl-5-methylpyrazol-3-yl)-3-methylbutane-2,3-diamine
CID 79053571
1-(2-ethyl-5-methylpyrazol-3-yl)-4-(4-methylphenyl)butan-2-amine
CID 105162471
5-(chloromethyl)-1-ethyl-3-methylpyrazole
CID 50896690
3-ethyl-1-(2-ethyl-5-methylpyrazol-3-yl)-3-N,3-N-dimethylpentane-2,3-diamine
CID 79062269
1-propoxy-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine
CID 103475048
5-[2-(chloromethyl)-4-methylpentyl]-1-ethyl-3-methylpyrazole
CID 66036324
1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103215689

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-5-methylpyrazol-3-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine?
The IUPAC name of 1-(2-ethyl-5-methylpyrazol-3-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine (CID 103474996) is 1-(2-ethyl-5-methylpyrazol-3-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine.
What is the SMILES notation for 1-(2-ethyl-5-methylpyrazol-3-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine?
The canonical SMILES for 1-(2-ethyl-5-methylpyrazol-3-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine is CCn1nc(C)cc1CC(N)COCC(F)(F)C(F)F.
What is the InChIKey of 1-(2-ethyl-5-methylpyrazol-3-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine?
The InChIKey is KZNRJCRBGHFNSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F4N3O/c1-3-19-10(4-8(2)18-19)5-9(17)6-20-7-12(15,16)11(13)14/h4,9,11H,3,5-7,17H2,1-2H3.
What are the key properties of 1-(2-ethyl-5-methylpyrazol-3-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine?
1-(2-ethyl-5-methylpyrazol-3-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine has a molecular weight of 297.30 g/mol, XLogP of 2.00, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-5-methylpyrazol-3-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine is sourced from PubChem (CID 103474996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).