(3-amino-1H-pyrazol-5-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone

C10H14F3N5O — CID 64524048

IUPAC(3-amino-1H-pyrazol-5-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
SMILESNc1cc(C(=O)N2CCN(CC(F)(F)F)CC2)[nH]n1
InChIInChI=1S/C10H14F3N5O/c11-10(12,13)6-17-1-3-18(4-2-17)9(19)7-5-8(14)16-15-7/h5H,1-4,6H2,(H3,14,15,16)
InChIKeyZHSOQEPXNYYDBN-UHFFFAOYSA-N
MW277.25 g/mol
LogP0.31
Rot. Bonds2

About (3-amino-1H-pyrazol-5-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone

(3-amino-1H-pyrazol-5-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone (PubChem CID 64524048) has the molecular formula C10H14F3N5O and a molecular weight of 277.25 g/mol. Its IUPAC name is (3-amino-1H-pyrazol-5-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-amino-1H-pyrazol-5-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
PubChem CID64524048
Molecular FormulaC10H14F3N5O
Molecular Weight277.25 g/mol
Exact Mass277.12
IUPAC Name(3-amino-1H-pyrazol-5-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
SMILESNc1cc(C(=O)N2CCN(CC(F)(F)F)CC2)[nH]n1
InChIInChI=1S/C10H14F3N5O/c11-10(12,13)6-17-1-3-18(4-2-17)9(19)7-5-8(14)16-15-7/h5H,1-4,6H2,(H3,14,15,16)
InChIKeyZHSOQEPXNYYDBN-UHFFFAOYSA-N
XLogP0.31
TPSA78.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-amino-1H-pyrazol-5-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
The IUPAC name of (3-amino-1H-pyrazol-5-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone (CID 64524048) is (3-amino-1H-pyrazol-5-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3-amino-1H-pyrazol-5-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
The canonical SMILES for (3-amino-1H-pyrazol-5-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone is Nc1cc(C(=O)N2CCN(CC(F)(F)F)CC2)[nH]n1.
What is the InChIKey of (3-amino-1H-pyrazol-5-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
The InChIKey is ZHSOQEPXNYYDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N5O/c11-10(12,13)6-17-1-3-18(4-2-17)9(19)7-5-8(14)16-15-7/h5H,1-4,6H2,(H3,14,15,16).
What are the key properties of (3-amino-1H-pyrazol-5-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
(3-amino-1H-pyrazol-5-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone has a molecular weight of 277.25 g/mol, XLogP of 0.31, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-1H-pyrazol-5-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 64524048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).