3-amino-1,1,1-trifluoro-3-(1H-pyrazol-4-yl)propan-2-ol

C6H8F3N3O — CID 82400679

IUPAC3-amino-1,1,1-trifluoro-3-(1H-pyrazol-4-yl)propan-2-ol
SMILESNC(c1cn[nH]c1)C(O)C(F)(F)F
InChIInChI=1S/C6H8F3N3O/c7-6(8,9)5(13)4(10)3-1-11-12-2-3/h1-2,4-5,13H,10H2,(H,11,12)
InChIKeySHYDNTBEZDISCR-UHFFFAOYSA-N
MW195.14 g/mol
LogP0.33
Rot. Bonds2

About 3-amino-1,1,1-trifluoro-3-(1H-pyrazol-4-yl)propan-2-ol

3-amino-1,1,1-trifluoro-3-(1H-pyrazol-4-yl)propan-2-ol (PubChem CID 82400679) has the molecular formula C6H8F3N3O and a molecular weight of 195.14 g/mol. Its IUPAC name is 3-amino-1,1,1-trifluoro-3-(1H-pyrazol-4-yl)propan-2-ol.

Molecular Properties

Compound Name3-amino-1,1,1-trifluoro-3-(1H-pyrazol-4-yl)propan-2-ol
PubChem CID82400679
Molecular FormulaC6H8F3N3O
Molecular Weight195.14 g/mol
Exact Mass195.06
IUPAC Name3-amino-1,1,1-trifluoro-3-(1H-pyrazol-4-yl)propan-2-ol
SMILESNC(c1cn[nH]c1)C(O)C(F)(F)F
InChIInChI=1S/C6H8F3N3O/c7-6(8,9)5(13)4(10)3-1-11-12-2-3/h1-2,4-5,13H,10H2,(H,11,12)
InChIKeySHYDNTBEZDISCR-UHFFFAOYSA-N
XLogP0.33
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.14
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1,1,1-trifluoro-3-(1H-pyrazol-4-yl)propan-2-ol?
The IUPAC name of 3-amino-1,1,1-trifluoro-3-(1H-pyrazol-4-yl)propan-2-ol (CID 82400679) is 3-amino-1,1,1-trifluoro-3-(1H-pyrazol-4-yl)propan-2-ol.
What is the SMILES notation for 3-amino-1,1,1-trifluoro-3-(1H-pyrazol-4-yl)propan-2-ol?
The canonical SMILES for 3-amino-1,1,1-trifluoro-3-(1H-pyrazol-4-yl)propan-2-ol is NC(c1cn[nH]c1)C(O)C(F)(F)F.
What is the InChIKey of 3-amino-1,1,1-trifluoro-3-(1H-pyrazol-4-yl)propan-2-ol?
The InChIKey is SHYDNTBEZDISCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N3O/c7-6(8,9)5(13)4(10)3-1-11-12-2-3/h1-2,4-5,13H,10H2,(H,11,12).
What are the key properties of 3-amino-1,1,1-trifluoro-3-(1H-pyrazol-4-yl)propan-2-ol?
3-amino-1,1,1-trifluoro-3-(1H-pyrazol-4-yl)propan-2-ol has a molecular weight of 195.14 g/mol, XLogP of 0.33, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1,1,1-trifluoro-3-(1H-pyrazol-4-yl)propan-2-ol is sourced from PubChem (CID 82400679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).