(1-methyl-4-prop-2-enylpyrazol-5-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone

C14H19F3N4O — CID 170457736

IUPAC(1-methyl-4-prop-2-enylpyrazol-5-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
SMILESC=CCc1cnn(C)c1C(=O)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C14H19F3N4O/c1-3-4-11-9-18-19(2)12(11)13(22)21-7-5-20(6-8-21)10-14(15,16)17/h3,9H,1,4-8,10H2,2H3
InChIKeyJOFPFABPEUZATG-UHFFFAOYSA-N
MW316.33 g/mol
LogP1.47
Rot. Bonds4

About (1-methyl-4-prop-2-enylpyrazol-5-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone

(1-methyl-4-prop-2-enylpyrazol-5-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone (PubChem CID 170457736) has the molecular formula C14H19F3N4O and a molecular weight of 316.33 g/mol. Its IUPAC name is (1-methyl-4-prop-2-enylpyrazol-5-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(1-methyl-4-prop-2-enylpyrazol-5-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
PubChem CID170457736
Molecular FormulaC14H19F3N4O
Molecular Weight316.33 g/mol
Exact Mass316.15
IUPAC Name(1-methyl-4-prop-2-enylpyrazol-5-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
SMILESC=CCc1cnn(C)c1C(=O)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C14H19F3N4O/c1-3-4-11-9-18-19(2)12(11)13(22)21-7-5-20(6-8-21)10-14(15,16)17/h3,9H,1,4-8,10H2,2H3
InChIKeyJOFPFABPEUZATG-UHFFFAOYSA-N
XLogP1.47
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(4-amino-1-methylpyrazol-5-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 65359335
(2-methylpiperidin-1-yl)-(1-methyl-4-prop-2-enylpyrazol-5-yl)methanone
CID 170457723
N-cyclopropyl-1-methyl-4-prop-2-enylpyrazole-5-carboxamide
CID 170457707
N-cyclohexyl-1-methyl-4-prop-2-enylpyrazole-5-carboxamide
CID 170457714
(5-methylpyrazin-2-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 163346703
(6-chloropyrazin-2-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 106550933
(4-amino-1-methylpyrazol-5-yl)-(4-propylpiperazin-1-yl)methanone
CID 65355801
1H-pyrazol-4-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 60786982
2-bromo-2-methyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-one
CID 114327524
(6-fluoro-3-pyridinyl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 63979493
ethane;1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone
CID 143483059
(5-methyl-1H-imidazol-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 131943447

Frequently Asked Questions

What is the IUPAC name of (1-methyl-4-prop-2-enylpyrazol-5-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
The IUPAC name of (1-methyl-4-prop-2-enylpyrazol-5-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone (CID 170457736) is (1-methyl-4-prop-2-enylpyrazol-5-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (1-methyl-4-prop-2-enylpyrazol-5-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
The canonical SMILES for (1-methyl-4-prop-2-enylpyrazol-5-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone is C=CCc1cnn(C)c1C(=O)N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of (1-methyl-4-prop-2-enylpyrazol-5-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
The InChIKey is JOFPFABPEUZATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N4O/c1-3-4-11-9-18-19(2)12(11)13(22)21-7-5-20(6-8-21)10-14(15,16)17/h3,9H,1,4-8,10H2,2H3.
What are the key properties of (1-methyl-4-prop-2-enylpyrazol-5-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
(1-methyl-4-prop-2-enylpyrazol-5-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone has a molecular weight of 316.33 g/mol, XLogP of 1.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-4-prop-2-enylpyrazol-5-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 170457736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).