2-[[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]methoxy]ethanamine

C9H14F3N3O — CID 25248679

IUPAC2-[[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]methoxy]ethanamine
SMILESCCn1nc(C(F)(F)F)cc1COCCN
InChIInChI=1S/C9H14F3N3O/c1-2-15-7(6-16-4-3-13)5-8(14-15)9(10,11)12/h5H,2-4,6,13H2,1H3
InChIKeyMDNDFLDNRIVVLJ-UHFFFAOYSA-N
MW237.22 g/mol
LogP1.40
Rot. Bonds5

About 2-[[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]methoxy]ethanamine

2-[[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]methoxy]ethanamine (PubChem CID 25248679) has the molecular formula C9H14F3N3O and a molecular weight of 237.22 g/mol. Its IUPAC name is 2-[[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]methoxy]ethanamine.

Molecular Properties

Compound Name2-[[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]methoxy]ethanamine
PubChem CID25248679
Molecular FormulaC9H14F3N3O
Molecular Weight237.22 g/mol
Exact Mass237.11
IUPAC Name2-[[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]methoxy]ethanamine
SMILESCCn1nc(C(F)(F)F)cc1COCCN
InChIInChI=1S/C9H14F3N3O/c1-2-15-7(6-16-4-3-13)5-8(14-15)9(10,11)12/h5H,2-4,6,13H2,1H3
InChIKeyMDNDFLDNRIVVLJ-UHFFFAOYSA-N
XLogP1.40
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 51.40
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-[2-[(1-Cyclopentyl-5-methylpyrazol-3-yl)methoxy]ethyl]morpholine
CID 54673625
(1-ethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl)methanol
CID 25247664
1-Ethyl-5-(trifluoromethyl)-1H-pyrazole-3-methanol
CID 50896820
4-methoxy-2-(trifluoromethyl)-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine
CID 57973785
4-Methoxy-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine
CID 57973803
2-[5-(Methoxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetic acid
CID 71186688
ethyl 2-(5-(methoxymethyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetate
CID 71187469
2-(fluoromethyl)-4-methoxy-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine
CID 89128778
[5-Methyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl methanesulfonate
CID 89395237
[5-Methyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol
CID 89395261
3-(1,1-Difluoroethyl)-5-(methoxymethyl)-1-propan-2-ylpyrazole
CID 90162097
5-(Methoxymethyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole
CID 90162777

Frequently Asked Questions

What is the IUPAC name of 2-[[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]methoxy]ethanamine?
The IUPAC name of 2-[[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]methoxy]ethanamine (CID 25248679) is 2-[[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]methoxy]ethanamine.
What is the SMILES notation for 2-[[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]methoxy]ethanamine?
The canonical SMILES for 2-[[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]methoxy]ethanamine is CCn1nc(C(F)(F)F)cc1COCCN.
What is the InChIKey of 2-[[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]methoxy]ethanamine?
The InChIKey is MDNDFLDNRIVVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3O/c1-2-15-7(6-16-4-3-13)5-8(14-15)9(10,11)12/h5H,2-4,6,13H2,1H3.
What are the key properties of 2-[[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]methoxy]ethanamine?
2-[[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]methoxy]ethanamine has a molecular weight of 237.22 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]methoxy]ethanamine is sourced from PubChem (CID 25248679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).