1H-pyrazol-4-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone

C10H13F3N4O — CID 60786982

IUPAC1H-pyrazol-4-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
SMILESO=C(c1cn[nH]c1)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C10H13F3N4O/c11-10(12,13)7-16-1-3-17(4-2-16)9(18)8-5-14-15-6-8/h5-6H,1-4,7H2,(H,14,15)
InChIKeyFLTCAQABBXFAQE-UHFFFAOYSA-N
MW262.23 g/mol
LogP0.73
Rot. Bonds2

About 1H-pyrazol-4-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone

1H-pyrazol-4-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone (PubChem CID 60786982) has the molecular formula C10H13F3N4O and a molecular weight of 262.23 g/mol. Its IUPAC name is 1H-pyrazol-4-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name1H-pyrazol-4-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
PubChem CID60786982
Molecular FormulaC10H13F3N4O
Molecular Weight262.23 g/mol
Exact Mass262.10
IUPAC Name1H-pyrazol-4-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
SMILESO=C(c1cn[nH]c1)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C10H13F3N4O/c11-10(12,13)7-16-1-3-17(4-2-16)9(18)8-5-14-15-6-8/h5-6H,1-4,7H2,(H,14,15)
InChIKeyFLTCAQABBXFAQE-UHFFFAOYSA-N
XLogP0.73
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1H-pyrazol-4-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
The IUPAC name of 1H-pyrazol-4-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone (CID 60786982) is 1H-pyrazol-4-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone.
What is the SMILES notation for 1H-pyrazol-4-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
The canonical SMILES for 1H-pyrazol-4-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone is O=C(c1cn[nH]c1)N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 1H-pyrazol-4-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
The InChIKey is FLTCAQABBXFAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4O/c11-10(12,13)7-16-1-3-17(4-2-16)9(18)8-5-14-15-6-8/h5-6H,1-4,7H2,(H,14,15).
What are the key properties of 1H-pyrazol-4-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
1H-pyrazol-4-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone has a molecular weight of 262.23 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrazol-4-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 60786982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).