1-(4-aminopyrazol-1-yl)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-2-ol

C12H20F3N5O — CID 62968918

IUPAC1-(4-aminopyrazol-1-yl)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-2-ol
SMILESNc1cnn(CC(O)CN2CCN(CC(F)(F)F)CC2)c1
InChIInChI=1S/C12H20F3N5O/c13-12(14,15)9-19-3-1-18(2-4-19)7-11(21)8-20-6-10(16)5-17-20/h5-6,11,21H,1-4,7-9,16H2
InChIKeyZOVMYVMTINYGCE-UHFFFAOYSA-N
MW307.32 g/mol
LogP0.01
Rot. Bonds5

About 1-(4-aminopyrazol-1-yl)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-2-ol

1-(4-aminopyrazol-1-yl)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-2-ol (PubChem CID 62968918) has the molecular formula C12H20F3N5O and a molecular weight of 307.32 g/mol. Its IUPAC name is 1-(4-aminopyrazol-1-yl)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-(4-aminopyrazol-1-yl)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-2-ol
PubChem CID62968918
Molecular FormulaC12H20F3N5O
Molecular Weight307.32 g/mol
Exact Mass307.16
IUPAC Name1-(4-aminopyrazol-1-yl)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-2-ol
SMILESNc1cnn(CC(O)CN2CCN(CC(F)(F)F)CC2)c1
InChIInChI=1S/C12H20F3N5O/c13-12(14,15)9-19-3-1-18(2-4-19)7-11(21)8-20-6-10(16)5-17-20/h5-6,11,21H,1-4,7-9,16H2
InChIKeyZOVMYVMTINYGCE-UHFFFAOYSA-N
XLogP0.01
TPSA70.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopyrazol-1-yl)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-2-ol?
The IUPAC name of 1-(4-aminopyrazol-1-yl)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-2-ol (CID 62968918) is 1-(4-aminopyrazol-1-yl)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-2-ol.
What is the SMILES notation for 1-(4-aminopyrazol-1-yl)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-2-ol?
The canonical SMILES for 1-(4-aminopyrazol-1-yl)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-2-ol is Nc1cnn(CC(O)CN2CCN(CC(F)(F)F)CC2)c1.
What is the InChIKey of 1-(4-aminopyrazol-1-yl)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-2-ol?
The InChIKey is ZOVMYVMTINYGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N5O/c13-12(14,15)9-19-3-1-18(2-4-19)7-11(21)8-20-6-10(16)5-17-20/h5-6,11,21H,1-4,7-9,16H2.
What are the key properties of 1-(4-aminopyrazol-1-yl)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-2-ol?
1-(4-aminopyrazol-1-yl)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-2-ol has a molecular weight of 307.32 g/mol, XLogP of 0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminopyrazol-1-yl)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 62968918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).