4-amino-1,1,1-trifluoro-2-(2-methylpyrazol-3-yl)butan-2-ol

C8H12F3N3O — CID 83917835

IUPAC4-amino-1,1,1-trifluoro-2-(2-methylpyrazol-3-yl)butan-2-ol
SMILESCn1nccc1C(O)(CCN)C(F)(F)F
InChIInChI=1S/C8H12F3N3O/c1-14-6(2-5-13-14)7(15,3-4-12)8(9,10)11/h2,5,15H,3-4,12H2,1H3
InChIKeyITETWXPADDRYTL-UHFFFAOYSA-N
MW223.20 g/mol
LogP0.52
Rot. Bonds3

About 4-amino-1,1,1-trifluoro-2-(2-methylpyrazol-3-yl)butan-2-ol

4-amino-1,1,1-trifluoro-2-(2-methylpyrazol-3-yl)butan-2-ol (PubChem CID 83917835) has the molecular formula C8H12F3N3O and a molecular weight of 223.20 g/mol. Its IUPAC name is 4-amino-1,1,1-trifluoro-2-(2-methylpyrazol-3-yl)butan-2-ol.

Molecular Properties

Compound Name4-amino-1,1,1-trifluoro-2-(2-methylpyrazol-3-yl)butan-2-ol
PubChem CID83917835
Molecular FormulaC8H12F3N3O
Molecular Weight223.20 g/mol
Exact Mass223.09
IUPAC Name4-amino-1,1,1-trifluoro-2-(2-methylpyrazol-3-yl)butan-2-ol
SMILESCn1nccc1C(O)(CCN)C(F)(F)F
InChIInChI=1S/C8H12F3N3O/c1-14-6(2-5-13-14)7(15,3-4-12)8(9,10)11/h2,5,15H,3-4,12H2,1H3
InChIKeyITETWXPADDRYTL-UHFFFAOYSA-N
XLogP0.52
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.20
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-methyl-1H-pyrazol-5-yl)oxan-4-ol
CID 63960719
3-(1-methyl-1H-pyrazol-5-yl)pyrrolidin-3-ol
CID 63961141
2,2,2-trifluoro-1-(1-methyl-1H-pyrazol-5-yl)ethan-1-ol
CID 63962847
(1-methyl-1H-pyrazol-5-yl)(piperidin-4-yl)methanol
CID 80560254
3-(1-methyl-1H-pyrazol-5-yl)azetidin-3-ol dihydrochloride
CID 126809464
2,2,2-trifluoro-1-[1-(propan-2-yl)-1H-pyrazol-5-yl]ethan-1-ol
CID 126973841
4-(1-methyl-1H-pyrazol-5-yl)piperidin-4-ol dihydrochloride
CID 132327631
2,2,2-Trifluoroethyl 4-hydroxy-4-(2-methylpyrazol-3-yl)piperidine-1-carboxylate
CID 132395495
(E)-1-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]but-2-en-1-ol
CID 101394454
2,2,2-Trifluoro-1-(1-methyl-1h-pyrazol-3-yl)ethan-1-ol
CID 58297055
2-[1-Ethyl-3-(trifluoromethyl)pyrazol-5-yl]propan-2-ol
CID 70967738
2-[1-Methyl-3-(trifluoromethyl)-1h-pyrazol-5-yl]propan-2-ol
CID 71055468

Frequently Asked Questions

What is the IUPAC name of 4-amino-1,1,1-trifluoro-2-(2-methylpyrazol-3-yl)butan-2-ol?
The IUPAC name of 4-amino-1,1,1-trifluoro-2-(2-methylpyrazol-3-yl)butan-2-ol (CID 83917835) is 4-amino-1,1,1-trifluoro-2-(2-methylpyrazol-3-yl)butan-2-ol.
What is the SMILES notation for 4-amino-1,1,1-trifluoro-2-(2-methylpyrazol-3-yl)butan-2-ol?
The canonical SMILES for 4-amino-1,1,1-trifluoro-2-(2-methylpyrazol-3-yl)butan-2-ol is Cn1nccc1C(O)(CCN)C(F)(F)F.
What is the InChIKey of 4-amino-1,1,1-trifluoro-2-(2-methylpyrazol-3-yl)butan-2-ol?
The InChIKey is ITETWXPADDRYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3O/c1-14-6(2-5-13-14)7(15,3-4-12)8(9,10)11/h2,5,15H,3-4,12H2,1H3.
What are the key properties of 4-amino-1,1,1-trifluoro-2-(2-methylpyrazol-3-yl)butan-2-ol?
4-amino-1,1,1-trifluoro-2-(2-methylpyrazol-3-yl)butan-2-ol has a molecular weight of 223.20 g/mol, XLogP of 0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1,1,1-trifluoro-2-(2-methylpyrazol-3-yl)butan-2-ol is sourced from PubChem (CID 83917835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).