1,1,1-trifluoro-3-[4-(5-methyl-1H-pyrazol-3-yl)piperazin-1-yl]propan-2-ol

C11H17F3N4O — CID 154753950

IUPAC1,1,1-trifluoro-3-[4-(5-methyl-1H-pyrazol-3-yl)piperazin-1-yl]propan-2-ol
SMILESCc1cc(N2CCN(CC(O)C(F)(F)F)CC2)n[nH]1
InChIInChI=1S/C11H17F3N4O/c1-8-6-10(16-15-8)18-4-2-17(3-5-18)7-9(19)11(12,13)14/h6,9,19H,2-5,7H2,1H3,(H,15,16)
InChIKeyCUYJNEPIUNUBMD-UHFFFAOYSA-N
MW278.28 g/mol
LogP0.76
Rot. Bonds3

About 1,1,1-trifluoro-3-[4-(5-methyl-1H-pyrazol-3-yl)piperazin-1-yl]propan-2-ol

1,1,1-trifluoro-3-[4-(5-methyl-1H-pyrazol-3-yl)piperazin-1-yl]propan-2-ol (PubChem CID 154753950) has the molecular formula C11H17F3N4O and a molecular weight of 278.28 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[4-(5-methyl-1H-pyrazol-3-yl)piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[4-(5-methyl-1H-pyrazol-3-yl)piperazin-1-yl]propan-2-ol
PubChem CID154753950
Molecular FormulaC11H17F3N4O
Molecular Weight278.28 g/mol
Exact Mass278.14
IUPAC Name1,1,1-trifluoro-3-[4-(5-methyl-1H-pyrazol-3-yl)piperazin-1-yl]propan-2-ol
SMILESCc1cc(N2CCN(CC(O)C(F)(F)F)CC2)n[nH]1
InChIInChI=1S/C11H17F3N4O/c1-8-6-10(16-15-8)18-4-2-17(3-5-18)7-9(19)11(12,13)14/h6,9,19H,2-5,7H2,1H3,(H,15,16)
InChIKeyCUYJNEPIUNUBMD-UHFFFAOYSA-N
XLogP0.76
TPSA55.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-[4-(5-methyl-1H-pyrazol-3-yl)piperazin-1-yl]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[4-(5-methyl-1H-pyrazol-3-yl)piperazin-1-yl]propan-2-ol (CID 154753950) is 1,1,1-trifluoro-3-[4-(5-methyl-1H-pyrazol-3-yl)piperazin-1-yl]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[4-(5-methyl-1H-pyrazol-3-yl)piperazin-1-yl]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[4-(5-methyl-1H-pyrazol-3-yl)piperazin-1-yl]propan-2-ol is Cc1cc(N2CCN(CC(O)C(F)(F)F)CC2)n[nH]1.
What is the InChIKey of 1,1,1-trifluoro-3-[4-(5-methyl-1H-pyrazol-3-yl)piperazin-1-yl]propan-2-ol?
The InChIKey is CUYJNEPIUNUBMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4O/c1-8-6-10(16-15-8)18-4-2-17(3-5-18)7-9(19)11(12,13)14/h6,9,19H,2-5,7H2,1H3,(H,15,16).
What are the key properties of 1,1,1-trifluoro-3-[4-(5-methyl-1H-pyrazol-3-yl)piperazin-1-yl]propan-2-ol?
1,1,1-trifluoro-3-[4-(5-methyl-1H-pyrazol-3-yl)piperazin-1-yl]propan-2-ol has a molecular weight of 278.28 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-[4-(5-methyl-1H-pyrazol-3-yl)piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 154753950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).