2-[(4-amino-3-methyl-1-propylpyrazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol

C11H19F3N4O — CID 107478343

IUPAC2-[(4-amino-3-methyl-1-propylpyrazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCCCn1nc(C)c(N)c1N(CCO)CC(F)(F)F
InChIInChI=1S/C11H19F3N4O/c1-3-4-18-10(9(15)8(2)16-18)17(5-6-19)7-11(12,13)14/h19H,3-7,15H2,1-2H3
InChIKeyWSCSIMYKUFRXIV-UHFFFAOYSA-N
MW280.29 g/mol
LogP1.54
Rot. Bonds6

About 2-[(4-amino-3-methyl-1-propylpyrazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol

2-[(4-amino-3-methyl-1-propylpyrazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 107478343) has the molecular formula C11H19F3N4O and a molecular weight of 280.29 g/mol. Its IUPAC name is 2-[(4-amino-3-methyl-1-propylpyrazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(4-amino-3-methyl-1-propylpyrazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID107478343
Molecular FormulaC11H19F3N4O
Molecular Weight280.29 g/mol
Exact Mass280.15
IUPAC Name2-[(4-amino-3-methyl-1-propylpyrazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCCCn1nc(C)c(N)c1N(CCO)CC(F)(F)F
InChIInChI=1S/C11H19F3N4O/c1-3-4-18-10(9(15)8(2)16-18)17(5-6-19)7-11(12,13)14/h19H,3-7,15H2,1-2H3
InChIKeyWSCSIMYKUFRXIV-UHFFFAOYSA-N
XLogP1.54
TPSA67.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-dimethyl-5-(morpholin-4-yl)-1H-pyrazol-4-amine dihydrochloride
CID 155822730
1-Methyl-5-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)pyrazol-4-amine
CID 71176960
1,3-dimethyl-5-morpholino-1H-pyrazol-4-amine
CID 2795380
1,3-dimethyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine
CID 43554056
1,3-dimethyl-5-N-propyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine
CID 55011252
5-N-cyclopropyl-1,3-dimethyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine
CID 55011492
1,3-dimethyl-5-N-propan-2-yl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine
CID 55011693
5-N,1,3-trimethyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine
CID 60892121
5-N-ethyl-1,3-dimethyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine
CID 61602950
1,3-Dimethyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazol-4-amine
CID 62967525
4-[(2-methoxyethylamino)methyl]-N,1,3-trimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine
CID 63058817
N-ethyl-4-[(2-methoxyethylamino)methyl]-1,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine
CID 63071495

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-3-methyl-1-propylpyrazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[(4-amino-3-methyl-1-propylpyrazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol (CID 107478343) is 2-[(4-amino-3-methyl-1-propylpyrazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[(4-amino-3-methyl-1-propylpyrazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[(4-amino-3-methyl-1-propylpyrazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol is CCCn1nc(C)c(N)c1N(CCO)CC(F)(F)F.
What is the InChIKey of 2-[(4-amino-3-methyl-1-propylpyrazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is WSCSIMYKUFRXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N4O/c1-3-4-18-10(9(15)8(2)16-18)17(5-6-19)7-11(12,13)14/h19H,3-7,15H2,1-2H3.
What are the key properties of 2-[(4-amino-3-methyl-1-propylpyrazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol?
2-[(4-amino-3-methyl-1-propylpyrazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 280.29 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-3-methyl-1-propylpyrazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 107478343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).