1-(2-methoxyethylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-2-ol

C10H16F3N3O2 — CID 115475769

IUPAC1-(2-methoxyethylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
SMILESCOCCNCC(O)Cn1cc(C(F)(F)F)cn1
InChIInChI=1S/C10H16F3N3O2/c1-18-3-2-14-5-9(17)7-16-6-8(4-15-16)10(11,12)13/h4,6,9,14,17H,2-3,5,7H2,1H3
InChIKeyWSPIGOISUGDBOL-UHFFFAOYSA-N
MW267.25 g/mol
LogP0.50
Rot. Bonds7

About 1-(2-methoxyethylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-2-ol

1-(2-methoxyethylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-2-ol (PubChem CID 115475769) has the molecular formula C10H16F3N3O2 and a molecular weight of 267.25 g/mol. Its IUPAC name is 1-(2-methoxyethylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-(2-methoxyethylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
PubChem CID115475769
Molecular FormulaC10H16F3N3O2
Molecular Weight267.25 g/mol
Exact Mass267.12
IUPAC Name1-(2-methoxyethylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
SMILESCOCCNCC(O)Cn1cc(C(F)(F)F)cn1
InChIInChI=1S/C10H16F3N3O2/c1-18-3-2-14-5-9(17)7-16-6-8(4-15-16)10(11,12)13/h4,6,9,14,17H,2-3,5,7H2,1H3
InChIKeyWSPIGOISUGDBOL-UHFFFAOYSA-N
XLogP0.50
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methoxyethylamino)-3-(4-methylsulfonylpyrazol-1-yl)propan-2-ol
CID 165473027
1-(1-methoxypropan-2-yloxy)-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
CID 106989455
1-(4-nitropyrazol-1-yl)-3-(2-propan-2-yloxyethylamino)propan-2-ol
CID 104760165
1-[2-[2-methoxyethyl(methyl)amino]ethylamino]-3-(4-nitropyrazol-1-yl)propan-2-ol
CID 62845026
1-fluoro-3-(2-methoxyethylamino)propan-2-ol
CID 131182194
1-(2-methoxyethylamino)butan-2-ol
CID 60885611
5-chloro-1-[2-hydroxy-3-(2-methoxyethylamino)propyl]pyrimidin-2-one
CID 115475877
1-(4-bromopyrazol-1-yl)-3-(ethylamino)propan-2-ol
CID 61036530
1-(4-phenylpyrazol-1-yl)-3-(propylamino)propan-2-ol
CID 62770090
5-(diethylamino)-2-[2-hydroxy-3-(2-methoxyethylamino)propyl]pyridazin-3-one
CID 114395471
3-[2-hydroxy-3-(2-methoxyethylamino)propyl]-5-iodo-2-methylpyrimidin-4-one
CID 115475830
5-bromo-3-[2-hydroxy-3-(2-methoxyethylamino)propyl]-2-methylpyrimidin-4-one
CID 113317725

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-2-ol?
The IUPAC name of 1-(2-methoxyethylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-2-ol (CID 115475769) is 1-(2-methoxyethylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-2-ol.
What is the SMILES notation for 1-(2-methoxyethylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-2-ol?
The canonical SMILES for 1-(2-methoxyethylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-2-ol is COCCNCC(O)Cn1cc(C(F)(F)F)cn1.
What is the InChIKey of 1-(2-methoxyethylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-2-ol?
The InChIKey is WSPIGOISUGDBOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3O2/c1-18-3-2-14-5-9(17)7-16-6-8(4-15-16)10(11,12)13/h4,6,9,14,17H,2-3,5,7H2,1H3.
What are the key properties of 1-(2-methoxyethylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-2-ol?
1-(2-methoxyethylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-2-ol has a molecular weight of 267.25 g/mol, XLogP of 0.50, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-2-ol is sourced from PubChem (CID 115475769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).