1-[3-amino-5-(trifluoromethyl)pyrazol-1-yl]propan-2-ol

C7H10F3N3O — CID 130536456

IUPAC1-[3-amino-5-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
SMILESCC(O)Cn1nc(N)cc1C(F)(F)F
InChIInChI=1S/C7H10F3N3O/c1-4(14)3-13-5(7(8,9)10)2-6(11)12-13/h2,4,14H,3H2,1H3,(H2,11,12)
InChIKeyBFFGVMIEIRDSPD-UHFFFAOYSA-N
MW209.17 g/mol
LogP0.86
Rot. Bonds2

About 1-[3-amino-5-(trifluoromethyl)pyrazol-1-yl]propan-2-ol

1-[3-amino-5-(trifluoromethyl)pyrazol-1-yl]propan-2-ol (PubChem CID 130536456) has the molecular formula C7H10F3N3O and a molecular weight of 209.17 g/mol. Its IUPAC name is 1-[3-amino-5-(trifluoromethyl)pyrazol-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-[3-amino-5-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
PubChem CID130536456
Molecular FormulaC7H10F3N3O
Molecular Weight209.17 g/mol
Exact Mass209.08
IUPAC Name1-[3-amino-5-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
SMILESCC(O)Cn1nc(N)cc1C(F)(F)F
InChIInChI=1S/C7H10F3N3O/c1-4(14)3-13-5(7(8,9)10)2-6(11)12-13/h2,4,14H,3H2,1H3,(H2,11,12)
InChIKeyBFFGVMIEIRDSPD-UHFFFAOYSA-N
XLogP0.86
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.17
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-5-(trifluoromethyl)pyrazol-1-yl]propan-2-ol?
The IUPAC name of 1-[3-amino-5-(trifluoromethyl)pyrazol-1-yl]propan-2-ol (CID 130536456) is 1-[3-amino-5-(trifluoromethyl)pyrazol-1-yl]propan-2-ol.
What is the SMILES notation for 1-[3-amino-5-(trifluoromethyl)pyrazol-1-yl]propan-2-ol?
The canonical SMILES for 1-[3-amino-5-(trifluoromethyl)pyrazol-1-yl]propan-2-ol is CC(O)Cn1nc(N)cc1C(F)(F)F.
What is the InChIKey of 1-[3-amino-5-(trifluoromethyl)pyrazol-1-yl]propan-2-ol?
The InChIKey is BFFGVMIEIRDSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3O/c1-4(14)3-13-5(7(8,9)10)2-6(11)12-13/h2,4,14H,3H2,1H3,(H2,11,12).
What are the key properties of 1-[3-amino-5-(trifluoromethyl)pyrazol-1-yl]propan-2-ol?
1-[3-amino-5-(trifluoromethyl)pyrazol-1-yl]propan-2-ol has a molecular weight of 209.17 g/mol, XLogP of 0.86, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-5-(trifluoromethyl)pyrazol-1-yl]propan-2-ol is sourced from PubChem (CID 130536456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).