1-(1-ethyl-4-methoxypyrazol-5-yl)-2,2,2-trifluoroethanamine

C8H12F3N3O — CID 105047700

IUPAC1-(1-ethyl-4-methoxypyrazol-5-yl)-2,2,2-trifluoroethanamine
SMILESCCn1ncc(OC)c1C(N)C(F)(F)F
InChIInChI=1S/C8H12F3N3O/c1-3-14-6(5(15-2)4-13-14)7(12)8(9,10)11/h4,7H,3,12H2,1-2H3
InChIKeyYTRLTHNLEZALIE-UHFFFAOYSA-N
MW223.20 g/mol
LogP1.47
Rot. Bonds3

About 1-(1-ethyl-4-methoxypyrazol-5-yl)-2,2,2-trifluoroethanamine

1-(1-ethyl-4-methoxypyrazol-5-yl)-2,2,2-trifluoroethanamine (PubChem CID 105047700) has the molecular formula C8H12F3N3O and a molecular weight of 223.20 g/mol. Its IUPAC name is 1-(1-ethyl-4-methoxypyrazol-5-yl)-2,2,2-trifluoroethanamine.

Molecular Properties

Compound Name1-(1-ethyl-4-methoxypyrazol-5-yl)-2,2,2-trifluoroethanamine
PubChem CID105047700
Molecular FormulaC8H12F3N3O
Molecular Weight223.20 g/mol
Exact Mass223.09
IUPAC Name1-(1-ethyl-4-methoxypyrazol-5-yl)-2,2,2-trifluoroethanamine
SMILESCCn1ncc(OC)c1C(N)C(F)(F)F
InChIInChI=1S/C8H12F3N3O/c1-3-14-6(5(15-2)4-13-14)7(12)8(9,10)11/h4,7H,3,12H2,1-2H3
InChIKeyYTRLTHNLEZALIE-UHFFFAOYSA-N
XLogP1.47
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.20
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methylpropan-1-amine
CID 114661490
1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methyl-2-piperidin-1-ylpropan-1-amine
CID 114656654
1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 114656815
1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methoxypropan-1-amine
CID 114657669
3-(1-ethyl-4-methoxypyrazol-5-yl)-3-fluoropropan-1-amine
CID 114667945
1-(1-ethyl-4-methoxypyrazol-5-yl)hexan-1-amine
CID 105047983
1-(1-ethyl-4-methoxypyrazol-5-yl)-2-ethylsulfanylethanamine
CID 114653438
1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methyl-2-morpholin-4-ylbutan-1-amine
CID 114656862
(2,6-difluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanamine
CID 114657653
N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-4,4,4-trifluorobutan-1-amine
CID 114658002
(1-ethyl-4-methoxypyrazol-5-yl)-(2,3,4-trifluorophenyl)methanamine
CID 105047748
(3,4-difluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanamine
CID 114646610

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-4-methoxypyrazol-5-yl)-2,2,2-trifluoroethanamine?
The IUPAC name of 1-(1-ethyl-4-methoxypyrazol-5-yl)-2,2,2-trifluoroethanamine (CID 105047700) is 1-(1-ethyl-4-methoxypyrazol-5-yl)-2,2,2-trifluoroethanamine.
What is the SMILES notation for 1-(1-ethyl-4-methoxypyrazol-5-yl)-2,2,2-trifluoroethanamine?
The canonical SMILES for 1-(1-ethyl-4-methoxypyrazol-5-yl)-2,2,2-trifluoroethanamine is CCn1ncc(OC)c1C(N)C(F)(F)F.
What is the InChIKey of 1-(1-ethyl-4-methoxypyrazol-5-yl)-2,2,2-trifluoroethanamine?
The InChIKey is YTRLTHNLEZALIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3O/c1-3-14-6(5(15-2)4-13-14)7(12)8(9,10)11/h4,7H,3,12H2,1-2H3.
What are the key properties of 1-(1-ethyl-4-methoxypyrazol-5-yl)-2,2,2-trifluoroethanamine?
1-(1-ethyl-4-methoxypyrazol-5-yl)-2,2,2-trifluoroethanamine has a molecular weight of 223.20 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-4-methoxypyrazol-5-yl)-2,2,2-trifluoroethanamine is sourced from PubChem (CID 105047700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).