2-[4-[(4,4,4-trifluorobutan-2-ylamino)methyl]pyrazol-1-yl]ethanol

C10H16F3N3O — CID 114130166

IUPAC2-[4-[(4,4,4-trifluorobutan-2-ylamino)methyl]pyrazol-1-yl]ethanol
SMILESCC(CC(F)(F)F)NCc1cnn(CCO)c1
InChIInChI=1S/C10H16F3N3O/c1-8(4-10(11,12)13)14-5-9-6-15-16(7-9)2-3-17/h6-8,14,17H,2-5H2,1H3
InChIKeyJUFFXQODRMVRBJ-UHFFFAOYSA-N
MW251.25 g/mol
LogP1.31
Rot. Bonds6

About 2-[4-[(4,4,4-trifluorobutan-2-ylamino)methyl]pyrazol-1-yl]ethanol

2-[4-[(4,4,4-trifluorobutan-2-ylamino)methyl]pyrazol-1-yl]ethanol (PubChem CID 114130166) has the molecular formula C10H16F3N3O and a molecular weight of 251.25 g/mol. Its IUPAC name is 2-[4-[(4,4,4-trifluorobutan-2-ylamino)methyl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(4,4,4-trifluorobutan-2-ylamino)methyl]pyrazol-1-yl]ethanol
PubChem CID114130166
Molecular FormulaC10H16F3N3O
Molecular Weight251.25 g/mol
Exact Mass251.12
IUPAC Name2-[4-[(4,4,4-trifluorobutan-2-ylamino)methyl]pyrazol-1-yl]ethanol
SMILESCC(CC(F)(F)F)NCc1cnn(CCO)c1
InChIInChI=1S/C10H16F3N3O/c1-8(4-10(11,12)13)14-5-9-6-15-16(7-9)2-3-17/h6-8,14,17H,2-5H2,1H3
InChIKeyJUFFXQODRMVRBJ-UHFFFAOYSA-N
XLogP1.31
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(1-cyclopropylpropan-2-ylamino)methyl]pyrazol-1-yl]ethanol
CID 64831182
(2S)-2-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]-3-methylbutan-1-ol
CID 79253702
4-[3-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]butyl]phenol
CID 64829211
2-[4-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]pyrazol-1-yl]ethanol
CID 64830214
3-[(1-ethylpyrazol-4-yl)methylamino]butan-1-ol
CID 78998031
2-[4-[[1-(4-bromophenyl)ethylamino]methyl]pyrazol-1-yl]ethanol
CID 64830577
N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]propan-2-amine
CID 62731582
2-[4-[[1-(2-chlorophenyl)ethylamino]methyl]pyrazol-1-yl]ethanol
CID 64829552
2-[4-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]pyrazol-1-yl]ethanol
CID 81363715
4,4,4-trifluoro-N-[2-(1-methylpyrazol-4-yl)ethyl]butan-2-amine
CID 115710852
2-[4-[[(1-methylcyclopentyl)amino]methyl]pyrazol-1-yl]ethanol
CID 64830027
(2S)-2-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]-3-phenylpropan-1-ol
CID 107862327

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4,4,4-trifluorobutan-2-ylamino)methyl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[(4,4,4-trifluorobutan-2-ylamino)methyl]pyrazol-1-yl]ethanol (CID 114130166) is 2-[4-[(4,4,4-trifluorobutan-2-ylamino)methyl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(4,4,4-trifluorobutan-2-ylamino)methyl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[(4,4,4-trifluorobutan-2-ylamino)methyl]pyrazol-1-yl]ethanol is CC(CC(F)(F)F)NCc1cnn(CCO)c1.
What is the InChIKey of 2-[4-[(4,4,4-trifluorobutan-2-ylamino)methyl]pyrazol-1-yl]ethanol?
The InChIKey is JUFFXQODRMVRBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3O/c1-8(4-10(11,12)13)14-5-9-6-15-16(7-9)2-3-17/h6-8,14,17H,2-5H2,1H3.
What are the key properties of 2-[4-[(4,4,4-trifluorobutan-2-ylamino)methyl]pyrazol-1-yl]ethanol?
2-[4-[(4,4,4-trifluorobutan-2-ylamino)methyl]pyrazol-1-yl]ethanol has a molecular weight of 251.25 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4,4,4-trifluorobutan-2-ylamino)methyl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 114130166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).