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

C9H14F3N3O — CID 63081725

IUPAC3-amino-1,1,1-trifluoro-2-(1-propylpyrazol-4-yl)propan-2-ol
SMILESCCCn1cc(C(O)(CN)C(F)(F)F)cn1
InChIInChI=1S/C9H14F3N3O/c1-2-3-15-5-7(4-14-15)8(16,6-13)9(10,11)12/h4-5,16H,2-3,6,13H2,1H3
InChIKeyJPDMTZOBADFAFT-UHFFFAOYSA-N
MW237.22 g/mol
LogP1.00
Rot. Bonds4

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

3-amino-1,1,1-trifluoro-2-(1-propylpyrazol-4-yl)propan-2-ol (PubChem CID 63081725) has the molecular formula C9H14F3N3O and a molecular weight of 237.22 g/mol. Its IUPAC name is 3-amino-1,1,1-trifluoro-2-(1-propylpyrazol-4-yl)propan-2-ol.

Molecular Properties

Compound Name3-amino-1,1,1-trifluoro-2-(1-propylpyrazol-4-yl)propan-2-ol
PubChem CID63081725
Molecular FormulaC9H14F3N3O
Molecular Weight237.22 g/mol
Exact Mass237.11
IUPAC Name3-amino-1,1,1-trifluoro-2-(1-propylpyrazol-4-yl)propan-2-ol
SMILESCCCn1cc(C(O)(CN)C(F)(F)F)cn1
InChIInChI=1S/C9H14F3N3O/c1-2-3-15-5-7(4-14-15)8(16,6-13)9(10,11)12/h4-5,16H,2-3,6,13H2,1H3
InChIKeyJPDMTZOBADFAFT-UHFFFAOYSA-N
XLogP1.00
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1,1,1-trifluoro-2-(1-propylpyrazol-4-yl)propan-2-ol?
The IUPAC name of 3-amino-1,1,1-trifluoro-2-(1-propylpyrazol-4-yl)propan-2-ol (CID 63081725) is 3-amino-1,1,1-trifluoro-2-(1-propylpyrazol-4-yl)propan-2-ol.
What is the SMILES notation for 3-amino-1,1,1-trifluoro-2-(1-propylpyrazol-4-yl)propan-2-ol?
The canonical SMILES for 3-amino-1,1,1-trifluoro-2-(1-propylpyrazol-4-yl)propan-2-ol is CCCn1cc(C(O)(CN)C(F)(F)F)cn1.
What is the InChIKey of 3-amino-1,1,1-trifluoro-2-(1-propylpyrazol-4-yl)propan-2-ol?
The InChIKey is JPDMTZOBADFAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3O/c1-2-3-15-5-7(4-14-15)8(16,6-13)9(10,11)12/h4-5,16H,2-3,6,13H2,1H3.
What are the key properties of 3-amino-1,1,1-trifluoro-2-(1-propylpyrazol-4-yl)propan-2-ol?
3-amino-1,1,1-trifluoro-2-(1-propylpyrazol-4-yl)propan-2-ol has a molecular weight of 237.22 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1,1,1-trifluoro-2-(1-propylpyrazol-4-yl)propan-2-ol is sourced from PubChem (CID 63081725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).